(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone

C14H10BrFO — CID 114965994

IUPAC(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
SMILESCc1cc(Br)cc(C(=O)c2ccccc2F)c1
InChIInChI=1S/C14H10BrFO/c1-9-6-10(8-11(15)7-9)14(17)12-4-2-3-5-13(12)16/h2-8H,1H3
InChIKeyXUISOKCFVJOLAY-UHFFFAOYSA-N
MW293.13 g/mol
LogP4.13
Rot. Bonds2

About (3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone

(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone (PubChem CID 114965994) has the molecular formula C14H10BrFO and a molecular weight of 293.13 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
PubChem CID114965994
Molecular FormulaC14H10BrFO
Molecular Weight293.13 g/mol
Exact Mass291.99
IUPAC Name(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
SMILESCc1cc(Br)cc(C(=O)c2ccccc2F)c1
InChIInChI=1S/C14H10BrFO/c1-9-6-10(8-11(15)7-9)14(17)12-4-2-3-5-13(12)16/h2-8H,1H3
InChIKeyXUISOKCFVJOLAY-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
CID 116597103
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(2-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373956
(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 104851011
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762
(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
CID 113461585
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone
CID 114024133
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811284
2-(3,5-dimethylbenzoyl)benzoate
CID 4526891

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone (CID 114965994) is (3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone is Cc1cc(Br)cc(C(=O)c2ccccc2F)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone?
The InChIKey is XUISOKCFVJOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO/c1-9-6-10(8-11(15)7-9)14(17)12-4-2-3-5-13(12)16/h2-8H,1H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone?
(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone has a molecular weight of 293.13 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 114965994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).