3,4-bis(trifluoromethyl)thiophene

C6H2F6S — CID 13040458

IUPAC3,4-bis(trifluoromethyl)thiophene
SMILESFC(F)(F)c1cscc1C(F)(F)F
InChIInChI=1S/C6H2F6S/c7-5(8,9)3-1-13-2-4(3)6(10,11)12/h1-2H
InChIKeyZVKIWDCFNXFOOA-UHFFFAOYSA-N
MW220.14 g/mol
LogP3.79
Rot. Bonds

About 3,4-bis(trifluoromethyl)thiophene

3,4-bis(trifluoromethyl)thiophene (PubChem CID 13040458) has the molecular formula C6H2F6S and a molecular weight of 220.14 g/mol. Its IUPAC name is 3,4-bis(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3,4-bis(trifluoromethyl)thiophene
PubChem CID13040458
Molecular FormulaC6H2F6S
Molecular Weight220.14 g/mol
Exact Mass219.98
IUPAC Name3,4-bis(trifluoromethyl)thiophene
SMILESFC(F)(F)c1cscc1C(F)(F)F
InChIInChI=1S/C6H2F6S/c7-5(8,9)3-1-13-2-4(3)6(10,11)12/h1-2H
InChIKeyZVKIWDCFNXFOOA-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4-bis(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 3,4-bis(trifluoromethyl)thiophene?
The IUPAC name of 3,4-bis(trifluoromethyl)thiophene (CID 13040458) is 3,4-bis(trifluoromethyl)thiophene.
What is the SMILES notation for 3,4-bis(trifluoromethyl)thiophene?
The canonical SMILES for 3,4-bis(trifluoromethyl)thiophene is FC(F)(F)c1cscc1C(F)(F)F.
What is the InChIKey of 3,4-bis(trifluoromethyl)thiophene?
The InChIKey is ZVKIWDCFNXFOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F6S/c7-5(8,9)3-1-13-2-4(3)6(10,11)12/h1-2H.
What are the key properties of 3,4-bis(trifluoromethyl)thiophene?
3,4-bis(trifluoromethyl)thiophene has a molecular weight of 220.14 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(trifluoromethyl)thiophene is sourced from PubChem (CID 13040458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).