(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone

C13H6BrClF2O — CID 79736530

IUPAC(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)c1c(F)cccc1Cl
InChIInChI=1S/C13H6BrClF2O/c14-8-6-7(4-5-10(8)16)13(18)12-9(15)2-1-3-11(12)17/h1-6H
InChIKeyPHJIPOCCEAXUFJ-UHFFFAOYSA-N
MW331.54 g/mol
LogP4.61
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone

(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone (PubChem CID 79736530) has the molecular formula C13H6BrClF2O and a molecular weight of 331.54 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
PubChem CID79736530
Molecular FormulaC13H6BrClF2O
Molecular Weight331.54 g/mol
Exact Mass329.93
IUPAC Name(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)c1c(F)cccc1Cl
InChIInChI=1S/C13H6BrClF2O/c14-8-6-7(4-5-10(8)16)13(18)12-9(15)2-1-3-11(12)17/h1-6H
InChIKeyPHJIPOCCEAXUFJ-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
CID 115481855
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338532
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379564
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
3-bromo-4-fluorobenzoyl bromide
CID 3018761
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 82809772

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone (CID 79736530) is (3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone is O=C(c1ccc(F)c(Br)c1)c1c(F)cccc1Cl.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone?
The InChIKey is PHJIPOCCEAXUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2O/c14-8-6-7(4-5-10(8)16)13(18)12-9(15)2-1-3-11(12)17/h1-6H.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone?
(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone has a molecular weight of 331.54 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone is sourced from PubChem (CID 79736530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).