(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone

C12H8BrFOS — CID 80535211

IUPAC(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2sccc2Br)c1
InChIInChI=1S/C12H8BrFOS/c1-7-2-3-10(14)8(6-7)11(15)12-9(13)4-5-16-12/h2-6H,1H3
InChIKeySXDLZGXXOKLIGU-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.19
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone

(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 80535211) has the molecular formula C12H8BrFOS and a molecular weight of 299.16 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID80535211
Molecular FormulaC12H8BrFOS
Molecular Weight299.16 g/mol
Exact Mass297.95
IUPAC Name(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2sccc2Br)c1
InChIInChI=1S/C12H8BrFOS/c1-7-2-3-10(14)8(6-7)11(15)12-9(13)4-5-16-12/h2-6H,1H3
InChIKeySXDLZGXXOKLIGU-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

(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514972
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 55083070
(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462518
(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970846
(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970869
(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
CID 65279746
(4-bromo-2,5-difluorophenyl)-(3-ethylthiophen-2-yl)methanone
CID 79985948
(2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839725
N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide
CID 63804092
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115815019

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone (CID 80535211) is (3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2sccc2Br)c1.
What is the InChIKey of (3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is SXDLZGXXOKLIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFOS/c1-7-2-3-10(14)8(6-7)11(15)12-9(13)4-5-16-12/h2-6H,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone?
(3-bromothiophen-2-yl)-(2-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 (3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 80535211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).