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

C14H9BrF2O — CID 114970846

IUPAC(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cccc(F)c2Br)c1
InChIInChI=1S/C14H9BrF2O/c1-8-5-6-11(16)10(7-8)14(18)9-3-2-4-12(17)13(9)15/h2-7H,1H3
InChIKeyQBVCAIWXYNGDKS-UHFFFAOYSA-N
MW311.13 g/mol
LogP4.27
Rot. Bonds2

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

(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 114970846) has the molecular formula C14H9BrF2O and a molecular weight of 311.13 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID114970846
Molecular FormulaC14H9BrF2O
Molecular Weight311.13 g/mol
Exact Mass309.98
IUPAC Name(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cccc(F)c2Br)c1
InChIInChI=1S/C14H9BrF2O/c1-8-5-6-11(16)10(7-8)14(18)9-3-2-4-12(17)13(9)15/h2-7H,1H3
InChIKeyQBVCAIWXYNGDKS-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107515094
(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
CID 114970988
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 105056401
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514972
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
(2-bromo-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762964
(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 80535211

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone (CID 114970846) is (2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2cccc(F)c2Br)c1.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is QBVCAIWXYNGDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O/c1-8-5-6-11(16)10(7-8)14(18)9-3-2-4-12(17)13(9)15/h2-7H,1H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone?
(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 311.13 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 114970846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).