5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene

C9H4ClF3S — CID 131001333

IUPAC5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene
SMILESFc1c(Cl)ccc2scc(C(F)F)c12
InChIInChI=1S/C9H4ClF3S/c10-5-1-2-6-7(8(5)11)4(3-14-6)9(12)13/h1-3,9H
InChIKeyQEKLWQWMWTWXQY-UHFFFAOYSA-N
MW236.65 g/mol
LogP4.63
Rot. Bonds1

About 5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene

5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene (PubChem CID 131001333) has the molecular formula C9H4ClF3S and a molecular weight of 236.65 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene
PubChem CID131001333
Molecular FormulaC9H4ClF3S
Molecular Weight236.65 g/mol
Exact Mass235.97
IUPAC Name5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene
SMILESFc1c(Cl)ccc2scc(C(F)F)c12
InChIInChI=1S/C9H4ClF3S/c10-5-1-2-6-7(8(5)11)4(3-14-6)9(12)13/h1-3,9H
InChIKeyQEKLWQWMWTWXQY-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

3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol
CID 131031375
4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene
CID 131119349
3-bromo-1-chloro-4-(difluoromethyl)-2-fluorobenzene
CID 118542468
3-(difluoromethyl)-4-fluoro-6-methyl-1-benzothiophene
CID 130805378
3-amino-5-(difluoromethyl)-1-benzothiophen-4-ol
CID 130792241
6-bromo-3-chloro-4-(difluoromethyl)-1-benzothiophene
CID 130961129
3-(difluoromethyl)-5,6-difluoro-1-benzothiophene
CID 131029323
4-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130870686
(1S)-1-(3,6-dichloro-2-fluorophenyl)-2,2-difluoroethanamine
CID 130707442
3-chloro-7-(difluoromethyl)-1-benzothiophen-4-ol
CID 130792661
6-chloro-4-(difluoromethyl)-1-benzothiophene-3-thiol
CID 130885364
6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine
CID 130941806

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene?
The IUPAC name of 5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene (CID 131001333) is 5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene is Fc1c(Cl)ccc2scc(C(F)F)c12.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene?
The InChIKey is QEKLWQWMWTWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3S/c10-5-1-2-6-7(8(5)11)4(3-14-6)9(12)13/h1-3,9H.
What are the key properties of 5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene?
5-chloro-3-(difluoromethyl)-4-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 5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene is sourced from PubChem (CID 131001333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).