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Tetrafluoroethylene

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Tetrafluoroethylene
IUPAC Name: 1,1,2,2-tetrafluoroethene
Molecular Formula: C2F4
SMILES: C(=C(F)F)(F)F
Inchi: 1S/C2F4/c3-1(4)2(5)6
Inchi Key: BFKJFAAPBSQJPD-UHFFFAOYSA-N
Cas No: 116-14-3

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 3
Veber Violations 0
Egan Violations 0
Muegge Violations 3

Cross References

PubChem: 8301
Zinc: ZINC40454334
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 100.02
Mass (g/mol) 99.994
Molar Refractivity 11.46
Net Charge
HBD
HBA 4
Rt Bonds 0
Rings
TPSA 0.00
Hetero Atoms 4
Heavy Atoms 6
Aromatic Heavy Atoms 0
Melting Point (°C) -131.15
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP 1.991
iLOGP 1.53
XLOGP3 1.32
WLOGP 3.67
MLOGP 1.67
ESOL Log S -1.29
ESOL Solubility (mg/ml) 5.11
ESOL Solubility (mol/l) 0.051
ESOL Class: esol_class Very soluble
Ali Log S -0.92
Ali Solubility (mg/ml) 12
Ali Solubility (mol/l) 0.12
Ali Class Very soluble
Silicos-IT LogSw -1.01
Silicos-IT Solubility (mg/ml) 9.82
Silicos-IT Solubility (mol/l) 0.1
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -5.97
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.558
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.576
Carcinogenicity (Binary) 1
Carcinogenicity (Trinary) Warning
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