3-(difluoromethyl)thiophene

C5H4F2S — CID 15640923

IUPAC3-(difluoromethyl)thiophene
SMILESFC(F)c1ccsc1
InChIInChI=1S/C5H4F2S/c6-5(7)4-1-2-8-3-4/h1-3,5H
InChIKeyPYEUDRFBBGXPJS-UHFFFAOYSA-N
MW134.15 g/mol
LogP2.69
Rot. Bonds1

About 3-(difluoromethyl)thiophene

3-(difluoromethyl)thiophene (PubChem CID 15640923) has the molecular formula C5H4F2S and a molecular weight of 134.15 g/mol. Its IUPAC name is 3-(difluoromethyl)thiophene.

Molecular Properties

Compound Name3-(difluoromethyl)thiophene
PubChem CID15640923
Molecular FormulaC5H4F2S
Molecular Weight134.15 g/mol
Exact Mass134.00
IUPAC Name3-(difluoromethyl)thiophene
SMILESFC(F)c1ccsc1
InChIInChI=1S/C5H4F2S/c6-5(7)4-1-2-8-3-4/h1-3,5H
InChIKeyPYEUDRFBBGXPJS-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(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

Related Compounds

Thiophene
CID 8030
3-Methylthiophene
CID 12024
3-(Methylthio)methylthiophene
CID 20158044
3-Ethenylthiophene
CID 10887853
2-Fluorothiophene
CID 136243
3-(Trifluoromethyl)thiophene
CID 2769441
3-Ethynylthiophene
CID 3548422
3-Fluorothiophene
CID 10975421
(Thiophen-3-yl)methanethiol
CID 12408875
Thiophene-d4
CID 137290
[4-(Trifluoromethyl)thiophen-2-yl]boronic acid
CID 72213659
2-Bromo-3-(difluoromethyl)thiophene
CID 129532331

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)thiophene?
The IUPAC name of 3-(difluoromethyl)thiophene (CID 15640923) is 3-(difluoromethyl)thiophene.
What is the SMILES notation for 3-(difluoromethyl)thiophene?
The canonical SMILES for 3-(difluoromethyl)thiophene is FC(F)c1ccsc1.
What is the InChIKey of 3-(difluoromethyl)thiophene?
The InChIKey is PYEUDRFBBGXPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2S/c6-5(7)4-1-2-8-3-4/h1-3,5H.
What are the key properties of 3-(difluoromethyl)thiophene?
3-(difluoromethyl)thiophene has a molecular weight of 134.15 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)thiophene is sourced from PubChem (CID 15640923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).