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Hexafluorodisilane

Odors

No information available

Receptor Interaction

No receptors available
Image
2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Hexafluorodisilane
IUPAC Name: trifluoro(trifluorosilyl)silane
Molecular Formula: F6Si2
SMILES: F[Si](F)(F)[Si](F)(F)F
Inchi: 1S/F6Si2/c1-7(2,3)8(4,5)6
Inchi Key: SDNBGJALFMSQER-UHFFFAOYSA-N
Cas No: 13830-68-7

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 0
Veber Violations 0
Egan Violations 0
Muegge Violations 1

Cross References

PubChem: 139617
Zinc: ZINC256081522
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 170.16
Mass (g/mol) 169.944
Molar Refractivity 18.16
Net Charge
HBD 3
HBA 6
Rt Bonds 1
Rings
TPSA 0.00
Hetero Atoms 8
Heavy Atoms 8
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.36
LogP 1.76
iLOGP 1.58
XLOGP3 -2.74
WLOGP -0.31
MLOGP 0.27
ESOL Log S 0.44
ESOL Solubility (mg/ml) 818
ESOL Solubility (mol/l) 2.78
ESOL Class: esol_class Highly soluble
Ali Log S 0.80
Ali Solubility (mg/ml) 1850
Ali Solubility (mol/l) 6.29
Ali Class Highly soluble
Silicos-IT LogSw -2.39
Silicos-IT Solubility (mg/ml) 1.2
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -10.04
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding -0.071
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.188
Carcinogenicity (Binary) 1
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0