2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene

C18H12F4S2 — CID 142954591

IUPAC2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene
SMILESCSc1ccc(-c2cc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12F4S2/c1-23-14-8-4-11(5-9-14)15-10-16(18(20,21)22)24-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
InChIKeyTWGBPLUJCUPKCR-UHFFFAOYSA-N
MW368.42 g/mol
LogP6.96
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene

2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene (PubChem CID 142954591) has the molecular formula C18H12F4S2 and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene
PubChem CID142954591
Molecular FormulaC18H12F4S2
Molecular Weight368.42 g/mol
Exact Mass368.03
IUPAC Name2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene
SMILESCSc1ccc(-c2cc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12F4S2/c1-23-14-8-4-11(5-9-14)15-10-16(18(20,21)22)24-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
InChIKeyTWGBPLUJCUPKCR-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene (CID 142954591) is 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene is CSc1ccc(-c2cc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene?
The InChIKey is TWGBPLUJCUPKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4S2/c1-23-14-8-4-11(5-9-14)15-10-16(18(20,21)22)24-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene?
2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene has a molecular weight of 368.42 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 142954591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).