1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone

C12H8BrFOS — CID 61056501

IUPAC1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1ccc(Br)cc1F
InChIInChI=1S/C12H8BrFOS/c13-8-3-4-10(11(14)6-8)12(15)7-9-2-1-5-16-9/h1-6H,7H2
InChIKeyQNIXQHHXRJPWLJ-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.08
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone

1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone (PubChem CID 61056501) has the molecular formula C12H8BrFOS and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
PubChem CID61056501
Molecular FormulaC12H8BrFOS
Molecular Weight299.16 g/mol
Exact Mass297.95
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1ccc(Br)cc1F
InChIInChI=1S/C12H8BrFOS/c13-8-3-4-10(11(14)6-8)12(15)7-9-2-1-5-16-9/h1-6H,7H2
InChIKeyQNIXQHHXRJPWLJ-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-thiophen-2-ylethanone
CID 61055078
1-(2-bromo-4-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056276
1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056475
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone
CID 107962768
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
CID 146008833
3-(4-bromo-2-fluorophenyl)-3-oxopropanal
CID 82967650
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
1-(4-bromo-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586850
N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 879016

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone (CID 61056501) is 1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone?
The InChIKey is QNIXQHHXRJPWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFOS/c13-8-3-4-10(11(14)6-8)12(15)7-9-2-1-5-16-9/h1-6H,7H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone?
1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone has a molecular weight of 299.16 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 61056501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).