2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene

C9H4ClF3S — CID 130803877

IUPAC2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene
SMILESFc1cc(C(F)F)c2cc(Cl)sc2c1
InChIInChI=1S/C9H4ClF3S/c10-8-3-5-6(9(12)13)1-4(11)2-7(5)14-8/h1-3,9H
InChIKeyQSLGOJOTVFPWJV-UHFFFAOYSA-N
MW236.65 g/mol
LogP4.63
Rot. Bonds1

About 2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene

2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene (PubChem CID 130803877) has the molecular formula C9H4ClF3S and a molecular weight of 236.65 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene
PubChem CID130803877
Molecular FormulaC9H4ClF3S
Molecular Weight236.65 g/mol
Exact Mass235.97
IUPAC Name2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene
SMILESFc1cc(C(F)F)c2cc(Cl)sc2c1
InChIInChI=1S/C9H4ClF3S/c10-8-3-5-6(9(12)13)1-4(11)2-7(5)14-8/h1-3,9H
InChIKeyQSLGOJOTVFPWJV-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

2,6-dichloro-4-(difluoromethyl)-1-benzothiophene
CID 131197710
3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene
CID 130805604
1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene
CID 171009081
5-chloro-6-(difluoromethyl)-1-benzothiophene-3-thiol
CID 131146110
6-chloro-4-(difluoromethyl)-1-benzothiophene-3-thiol
CID 130885364
3-(difluoromethyl)-5,6-difluoro-1-benzothiophene
CID 131029323
2-chloro-6-ethyl-1-benzothiophene-4-thiol
CID 131190909
3-(difluoromethyl)-5-fluoro-1-benzothiophene-7-thiol
CID 130803205
4-chloro-6-fluoro-1-benzothiophene-2-carbaldehyde
CID 130969614
2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene
CID 171009202
2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene
CID 171033276
2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 107964463

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene?
The IUPAC name of 2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene (CID 130803877) is 2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene is Fc1cc(C(F)F)c2cc(Cl)sc2c1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene?
The InChIKey is QSLGOJOTVFPWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3S/c10-8-3-5-6(9(12)13)1-4(11)2-7(5)14-8/h1-3,9H.
What are the key properties of 2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene?
2-chloro-4-(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 2-chloro-4-(difluoromethyl)-6-fluoro-1-benzothiophene is sourced from PubChem (CID 130803877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).