3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene

C9H4ClF3S — CID 130805604

IUPAC3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene
SMILESFc1ccc2c(Cl)c(C(F)F)sc2c1
InChIInChI=1S/C9H4ClF3S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3,9H
InChIKeyKJRDMWNUBOXOAV-UHFFFAOYSA-N
MW236.65 g/mol
LogP4.63
Rot. Bonds1

About 3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene

3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene (PubChem CID 130805604) has the molecular formula C9H4ClF3S and a molecular weight of 236.65 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene
PubChem CID130805604
Molecular FormulaC9H4ClF3S
Molecular Weight236.65 g/mol
Exact Mass235.97
IUPAC Name3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene
SMILESFc1ccc2c(Cl)c(C(F)F)sc2c1
InChIInChI=1S/C9H4ClF3S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3,9H
InChIKeyKJRDMWNUBOXOAV-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130788515
3-chloro-6-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43390261
azepan-1-yl-(3-chloro-6-fluoro-1-benzothiophen-2-yl)methanone
CID 2426410
3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498
2-chloro-6-fluoro-3-methoxy-1-benzothiophene
CID 130839104
3-chloro-N-(2-chloroprop-2-enyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115636901
N-(3-amino-2-hydroxy-3-oxopropyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 106164712
3-chloro-6-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110036
3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 9097794
6-bromo-3-chloro-2-(1-chloroethyl)-1-benzothiophene
CID 70540697
(2-methoxyphenyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
CID 26101594
3-chloro-N'-(cyclopropanecarbonyl)-6-fluoro-1-benzothiophene-2-carbohydrazide
CID 26586793

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene?
The IUPAC name of 3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene (CID 130805604) is 3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene is Fc1ccc2c(Cl)c(C(F)F)sc2c1.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene?
The InChIKey is KJRDMWNUBOXOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3,9H.
What are the key properties of 3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene?
3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene has a molecular weight of 236.65 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene is sourced from PubChem (CID 130805604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).