4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene

C9H4BrClF2S — CID 131119349

IUPAC4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene
SMILESFC(F)c1csc2cc(Cl)cc(Br)c12
InChIInChI=1S/C9H4BrClF2S/c10-6-1-4(11)2-7-8(6)5(3-14-7)9(12)13/h1-3,9H
InChIKeyBFQCGNGSVRNMAR-UHFFFAOYSA-N
MW297.55 g/mol
LogP5.25
Rot. Bonds1

About 4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene

4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene (PubChem CID 131119349) has the molecular formula C9H4BrClF2S and a molecular weight of 297.55 g/mol. Its IUPAC name is 4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene
PubChem CID131119349
Molecular FormulaC9H4BrClF2S
Molecular Weight297.55 g/mol
Exact Mass295.89
IUPAC Name4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene
SMILESFC(F)c1csc2cc(Cl)cc(Br)c12
InChIInChI=1S/C9H4BrClF2S/c10-6-1-4(11)2-7-8(6)5(3-14-7)9(12)13/h1-3,9H
InChIKeyBFQCGNGSVRNMAR-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.55
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-4-(difluoromethyl)-1-benzothiophene-3-thiol
CID 130885364
6-bromo-3-chloro-4-(difluoromethyl)-1-benzothiophene
CID 130961129
6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine
CID 130941806
3-(difluoromethyl)-4-fluoro-6-methyl-1-benzothiophene
CID 130805378
5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene
CID 131001333
5,7-dichloro-3-(difluoromethyl)-1-benzothiophene
CID 131198019
4-bromo-3-chloro-6-methyl-1-benzothiophene
CID 91756717
2,6-dichloro-4-(difluoromethyl)-1-benzothiophene
CID 131197710
3-(difluoromethyl)-5,6-difluoro-1-benzothiophene
CID 131029323
5-chloro-6-(difluoromethyl)-1-benzothiophene-3-thiol
CID 131146110
4-bromo-3-chloro-1-benzothiophene-6-carbaldehyde
CID 130971687
3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol
CID 131031375

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene?
The IUPAC name of 4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene (CID 131119349) is 4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene.
What is the SMILES notation for 4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene?
The canonical SMILES for 4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene is FC(F)c1csc2cc(Cl)cc(Br)c12.
What is the InChIKey of 4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene?
The InChIKey is BFQCGNGSVRNMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClF2S/c10-6-1-4(11)2-7-8(6)5(3-14-7)9(12)13/h1-3,9H.
What are the key properties of 4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene?
4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene has a molecular weight of 297.55 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene is sourced from PubChem (CID 131119349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).