(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone

C12H8BrFOS — CID 105118815

IUPAC(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)c2csc(Br)c2)c1
InChIInChI=1S/C12H8BrFOS/c1-7-2-8(4-10(14)3-7)12(15)9-5-11(13)16-6-9/h2-6H,1H3
InChIKeyLUMUHHLPBYVQAC-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.19
Rot. Bonds2

About (5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone

(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone (PubChem CID 105118815) has the molecular formula C12H8BrFOS and a molecular weight of 299.16 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone
PubChem CID105118815
Molecular FormulaC12H8BrFOS
Molecular Weight299.16 g/mol
Exact Mass297.95
IUPAC Name(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)c2csc(Br)c2)c1
InChIInChI=1S/C12H8BrFOS/c1-7-2-8(4-10(14)3-7)12(15)9-5-11(13)16-6-9/h2-6H,1H3
InChIKeyLUMUHHLPBYVQAC-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105721
(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115374080
(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115787659
(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
CID 105085904
1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone
CID 105412119
(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
CID 105080186
5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
CID 39642819
bis(3,5-difluorophenyl)methanone
CID 2760569
bis(3,5-dimethylphenyl)methanone
CID 15640171
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone (CID 105118815) is (5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone is Cc1cc(F)cc(C(=O)c2csc(Br)c2)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is LUMUHHLPBYVQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFOS/c1-7-2-8(4-10(14)3-7)12(15)9-5-11(13)16-6-9/h2-6H,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone?
(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 299.16 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 105118815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).