1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone

C12H8BrFOS — CID 61078975

IUPAC1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1ccc(Br)s1
InChIInChI=1S/C12H8BrFOS/c13-12-5-4-11(16-12)10(15)7-8-2-1-3-9(14)6-8/h1-6H,7H2
InChIKeyHDLRWRAFAAQTNM-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.08
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone

1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone (PubChem CID 61078975) has the molecular formula C12H8BrFOS and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone
PubChem CID61078975
Molecular FormulaC12H8BrFOS
Molecular Weight299.16 g/mol
Exact Mass297.95
IUPAC Name1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1ccc(Br)s1
InChIInChI=1S/C12H8BrFOS/c13-12-5-4-11(16-12)10(15)7-8-2-1-3-9(14)6-8/h1-6H,7H2
InChIKeyHDLRWRAFAAQTNM-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-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone
CID 105405260
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone
CID 62504415
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one
CID 62621544
2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone
CID 160514462
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61406420
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 40878367
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-bromothiophen-2-yl)ethanone
CID 58448850
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone
CID 63941843
1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 113403008
1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone
CID 116833033

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone (CID 61078975) is 1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone?
The InChIKey is HDLRWRAFAAQTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFOS/c13-12-5-4-11(16-12)10(15)7-8-2-1-3-9(14)6-8/h1-6H,7H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone?
1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone 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-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 61078975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).