2-chloro-4-(difluoromethyl)thiophene

C5H3ClF2S — CID 175837328

IUPAC2-chloro-4-(difluoromethyl)thiophene
SMILESFC(F)c1csc(Cl)c1
InChIInChI=1S/C5H3ClF2S/c6-4-1-3(2-9-4)5(7)8/h1-2,5H
InChIKeyIMGVHSDEXALDKN-UHFFFAOYSA-N
MW168.60 g/mol
LogP3.34
Rot. Bonds1

About 2-chloro-4-(difluoromethyl)thiophene

2-chloro-4-(difluoromethyl)thiophene (PubChem CID 175837328) has the molecular formula C5H3ClF2S and a molecular weight of 168.60 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)thiophene.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)thiophene
PubChem CID175837328
Molecular FormulaC5H3ClF2S
Molecular Weight168.60 g/mol
Exact Mass167.96
IUPAC Name2-chloro-4-(difluoromethyl)thiophene
SMILESFC(F)c1csc(Cl)c1
InChIInChI=1S/C5H3ClF2S/c6-4-1-3(2-9-4)5(7)8/h1-2,5H
InChIKeyIMGVHSDEXALDKN-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.60
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4-(difluoromethyl)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-chloro-4-(difluoromethyl)thiophene?
The IUPAC name of 2-chloro-4-(difluoromethyl)thiophene (CID 175837328) is 2-chloro-4-(difluoromethyl)thiophene.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)thiophene?
The canonical SMILES for 2-chloro-4-(difluoromethyl)thiophene is FC(F)c1csc(Cl)c1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)thiophene?
The InChIKey is IMGVHSDEXALDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2S/c6-4-1-3(2-9-4)5(7)8/h1-2,5H.
What are the key properties of 2-chloro-4-(difluoromethyl)thiophene?
2-chloro-4-(difluoromethyl)thiophene has a molecular weight of 168.60 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)thiophene is sourced from PubChem (CID 175837328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).