2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone

C12H7BrF2OS — CID 114969425

IUPAC2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1cccc(F)c1F
InChIInChI=1S/C12H7BrF2OS/c13-7-4-8(17-6-7)5-11(16)9-2-1-3-10(14)12(9)15/h1-4,6H,5H2
InChIKeyCTYQPFKPHYMYGW-UHFFFAOYSA-N
MW317.15 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone

2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone (PubChem CID 114969425) has the molecular formula C12H7BrF2OS and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
PubChem CID114969425
Molecular FormulaC12H7BrF2OS
Molecular Weight317.15 g/mol
Exact Mass315.94
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1cccc(F)c1F
InChIInChI=1S/C12H7BrF2OS/c13-7-4-8(17-6-7)5-11(16)9-2-1-3-10(14)12(9)15/h1-4,6H,5H2
InChIKeyCTYQPFKPHYMYGW-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114969447
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885220
2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 114969456
2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969747
2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397
2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanone
CID 63409337
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-3-fluorobenzoic acid
CID 81497765
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
CID 80979266

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone (CID 114969425) is 2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone is O=C(Cc1cc(Br)cs1)c1cccc(F)c1F.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone?
The InChIKey is CTYQPFKPHYMYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2OS/c13-7-4-8(17-6-7)5-11(16)9-2-1-3-10(14)12(9)15/h1-4,6H,5H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone?
2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone has a molecular weight of 317.15 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 114969425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).