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

C10H7ClF2S — CID 130866334

IUPAC2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene
SMILESCc1ccc2sc(Cl)c(C(F)F)c2c1
InChIInChI=1S/C10H7ClF2S/c1-5-2-3-7-6(4-5)8(10(12)13)9(11)14-7/h2-4,10H,1H3
InChIKeyICLINIJCIBVTPD-UHFFFAOYSA-N
MW232.68 g/mol
LogP4.80
Rot. Bonds1

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

2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene (PubChem CID 130866334) has the molecular formula C10H7ClF2S and a molecular weight of 232.68 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene
PubChem CID130866334
Molecular FormulaC10H7ClF2S
Molecular Weight232.68 g/mol
Exact Mass231.99
IUPAC Name2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene
SMILESCc1ccc2sc(Cl)c(C(F)F)c2c1
InChIInChI=1S/C10H7ClF2S/c1-5-2-3-7-6(4-5)8(10(12)13)9(11)14-7/h2-4,10H,1H3
InChIKeyICLINIJCIBVTPD-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-3-(difluoromethyl)-5-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

2-chloro-3-fluoro-6-methyl-1-benzothiophene
CID 129075511
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
4-chloro-2-(difluoromethyl)-5-methyl-1-benzothiophene
CID 131075839
3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene
CID 130951803
2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130788515
3-(2,6-dimethyl-4-oxothiochromen-3-yl)-2,6-dimethylthiochromen-4-one
CID 10385011
3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine
CID 130961225
5,10,17-trimethyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18-decaene
CID 134909158
N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
CID 114377984
2,5-dimethyl-1-benzothiophene-3-carbonitrile
CID 84739601
3,6-dimethyl-9H-carbazole
CID 144942624
2-chloro-3-methoxy-1-benzothiophen-5-ol
CID 130792465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene?
The IUPAC name of 2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene (CID 130866334) is 2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene is Cc1ccc2sc(Cl)c(C(F)F)c2c1.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene?
The InChIKey is ICLINIJCIBVTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2S/c1-5-2-3-7-6(4-5)8(10(12)13)9(11)14-7/h2-4,10H,1H3.
What are the key properties of 2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene?
2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene has a molecular weight of 232.68 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene is sourced from PubChem (CID 130866334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).