2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene

C10H7F3S — CID 130788515

IUPAC2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
SMILESCc1c(C(F)F)sc2ccc(F)cc12
InChIInChI=1S/C10H7F3S/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4,10H,1H3
InChIKeyOUBUFFMVAXBVQL-UHFFFAOYSA-N
MW216.23 g/mol
LogP4.29
Rot. Bonds1

About 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene

2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene (PubChem CID 130788515) has the molecular formula C10H7F3S and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
PubChem CID130788515
Molecular FormulaC10H7F3S
Molecular Weight216.23 g/mol
Exact Mass216.02
IUPAC Name2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
SMILESCc1c(C(F)F)sc2ccc(F)cc12
InChIInChI=1S/C10H7F3S/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4,10H,1H3
InChIKeyOUBUFFMVAXBVQL-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene 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

5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene
CID 58128812
2-[(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]propanediamide
CID 56798549
3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene
CID 130805604
3-methyl-2-propan-2-yl-1-benzothiophen-5-ol
CID 58448893
N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119582221
N-[2-(difluoromethoxy)phenyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 60564733
5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 111486185
5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 110902894
5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide
CID 60567024
5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 50943437
N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine
CID 70798009
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 119522236

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene (CID 130788515) is 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene is Cc1c(C(F)F)sc2ccc(F)cc12.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene?
The InChIKey is OUBUFFMVAXBVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3S/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4,10H,1H3.
What are the key properties of 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene?
2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene has a molecular weight of 216.23 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene is sourced from PubChem (CID 130788515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).