6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene

C9H4BrF3S — CID 130987925

IUPAC6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene
SMILESFc1c(Br)c(C(F)F)cc2ccsc12
InChIInChI=1S/C9H4BrF3S/c10-6-5(9(12)13)3-4-1-2-14-8(4)7(6)11/h1-3,9H
InChIKeyVMYUBPNSOZRPNT-UHFFFAOYSA-N
MW281.10 g/mol
LogP4.74
Rot. Bonds1

About 6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene

6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene (PubChem CID 130987925) has the molecular formula C9H4BrF3S and a molecular weight of 281.10 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene
PubChem CID130987925
Molecular FormulaC9H4BrF3S
Molecular Weight281.10 g/mol
Exact Mass279.92
IUPAC Name6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene
SMILESFc1c(Br)c(C(F)F)cc2ccsc12
InChIInChI=1S/C9H4BrF3S/c10-6-5(9(12)13)3-4-1-2-14-8(4)7(6)11/h1-3,9H
InChIKeyVMYUBPNSOZRPNT-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(difluoromethyl)-6,7-dimethyl-1-benzothiophene
CID 130971820
7-bromo-5-fluoro-6-iodo-1-benzothiophene
CID 130955655
7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol
CID 131034357
4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol
CID 130839261
4-bromo-6-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130855113
7-bromo-6-fluoro-1-benzothiophene
CID 22171232
6,7-difluoro-1-benzothiophene-5-carbonitrile
CID 131219396
6-fluoro-7-iodo-5-nitro-1-benzothiophene
CID 131219074
6-(difluoromethyl)-5-iodo-1-benzothiophen-7-ol
CID 131195851
7-bromo-6-chloro-1-benzothiophene-5-thiol
CID 131030970
6-amino-7-fluoro-1-benzothiophene-5-thiol
CID 130816569
5-bromo-6,7-dichloro-1-benzothiophene
CID 70337047

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene?
The IUPAC name of 6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene (CID 130987925) is 6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene.
What is the SMILES notation for 6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene?
The canonical SMILES for 6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene is Fc1c(Br)c(C(F)F)cc2ccsc12.
What is the InChIKey of 6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene?
The InChIKey is VMYUBPNSOZRPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3S/c10-6-5(9(12)13)3-4-1-2-14-8(4)7(6)11/h1-3,9H.
What are the key properties of 6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene?
6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene has a molecular weight of 281.10 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene is sourced from PubChem (CID 130987925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).