3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene

C10H7BrF2S — CID 131034319

IUPAC3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene
SMILESCc1cccc2c(Br)c(C(F)F)sc12
InChIInChI=1S/C10H7BrF2S/c1-5-3-2-4-6-7(11)9(10(12)13)14-8(5)6/h2-4,10H,1H3
InChIKeyISNSNFNDOMCJKC-UHFFFAOYSA-N
MW277.13 g/mol
LogP4.91
Rot. Bonds1

About 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene

3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene (PubChem CID 131034319) has the molecular formula C10H7BrF2S and a molecular weight of 277.13 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene
PubChem CID131034319
Molecular FormulaC10H7BrF2S
Molecular Weight277.13 g/mol
Exact Mass275.94
IUPAC Name3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene
SMILESCc1cccc2c(Br)c(C(F)F)sc12
InChIInChI=1S/C10H7BrF2S/c1-5-3-2-4-6-7(11)9(10(12)13)14-8(5)6/h2-4,10H,1H3
InChIKeyISNSNFNDOMCJKC-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dimethyldibenzothiophene
CID 161055331
4,5-dimethylthioxanthen-9-one
CID 10800095
2-tert-butyl-3,7-dimethyl-1-benzothiophene
CID 155456279
2-fluoro-4,6-dimethyldibenzothiophene
CID 62707144
3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene
CID 131075795
3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene
CID 130941940
1-bromo-2-(difluoromethyl)-3-methylbenzene
CID 84686328
4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine
CID 129292222
7-methyl-3-(7-methyl-2-phenyl-1-benzothiophen-3-yl)-2-phenyl-1-benzothiophene
CID 177473219
[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol
CID 130971621
1,5-dimethylnaphthalene
CID 162159355
2-(2,7-dimethyl-1-benzothiophen-3-yl)propanoic acid
CID 83911925

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene?
The IUPAC name of 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene (CID 131034319) is 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene?
The canonical SMILES for 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene is Cc1cccc2c(Br)c(C(F)F)sc12.
What is the InChIKey of 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene?
The InChIKey is ISNSNFNDOMCJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2S/c1-5-3-2-4-6-7(11)9(10(12)13)14-8(5)6/h2-4,10H,1H3.
What are the key properties of 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene?
3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene has a molecular weight of 277.13 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene is sourced from PubChem (CID 131034319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).