2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone

C12H7BrClFOS — CID 114969456

IUPAC2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1c(F)cccc1Cl
InChIInChI=1S/C12H7BrClFOS/c13-7-4-8(17-6-7)5-11(16)12-9(14)2-1-3-10(12)15/h1-4,6H,5H2
InChIKeyLOQXQLKIVWEPBO-UHFFFAOYSA-N
MW333.61 g/mol
LogP4.73
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone

2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 114969456) has the molecular formula C12H7BrClFOS and a molecular weight of 333.61 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
PubChem CID114969456
Molecular FormulaC12H7BrClFOS
Molecular Weight333.61 g/mol
Exact Mass331.91
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1c(F)cccc1Cl
InChIInChI=1S/C12H7BrClFOS/c13-7-4-8(17-6-7)5-11(16)12-9(14)2-1-3-10(12)15/h1-4,6H,5H2
InChIKeyLOQXQLKIVWEPBO-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969425
2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885220
2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
2-(4-bromothiophen-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114969447
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
CID 80979266
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 159127585
1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 114973239
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 43118449
1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 55145225
3-(2-chloro-6-fluorophenyl)-3-oxopropanenitrile
CID 24703509

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone (CID 114969456) is 2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone is O=C(Cc1cc(Br)cs1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is LOQXQLKIVWEPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFOS/c13-7-4-8(17-6-7)5-11(16)12-9(14)2-1-3-10(12)15/h1-4,6H,5H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 333.61 g/mol, XLogP of 4.73, 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-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 114969456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).