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

C12H7BrF2OS — CID 114969747

IUPAC2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
SMILESO=C(Cc1sccc1Br)c1cccc(F)c1F
InChIInChI=1S/C12H7BrF2OS/c13-8-4-5-17-11(8)6-10(16)7-2-1-3-9(14)12(7)15/h1-5H,6H2
InChIKeyNRPXXZNMPLJRGI-UHFFFAOYSA-N
MW317.15 g/mol
LogP4.21
Rot. Bonds3

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

2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone (PubChem CID 114969747) has the molecular formula C12H7BrF2OS and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
PubChem CID114969747
Molecular FormulaC12H7BrF2OS
Molecular Weight317.15 g/mol
Exact Mass315.94
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
SMILESO=C(Cc1sccc1Br)c1cccc(F)c1F
InChIInChI=1S/C12H7BrF2OS/c13-8-4-5-17-11(8)6-10(16)7-2-1-3-9(14)12(7)15/h1-5H,6H2
InChIKeyNRPXXZNMPLJRGI-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

1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969803
1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 64829244
2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
CID 62621967
2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114969742
1-(3-bromothiophen-2-yl)-3-(2,6-difluorophenyl)propan-2-one
CID 114969770
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969425
2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
CID 114969743
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)ethanone
CID 114969828
1-(3-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 82808650
2-(3-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610459
2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone
CID 62620007

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone (CID 114969747) is 2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone is O=C(Cc1sccc1Br)c1cccc(F)c1F.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone?
The InChIKey is NRPXXZNMPLJRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2OS/c13-8-4-5-17-11(8)6-10(16)7-2-1-3-9(14)12(7)15/h1-5H,6H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone?
2-(3-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-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 114969747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).