(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone

C13H7BrClFO — CID 114963342

IUPAC(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C13H7BrClFO/c14-11-6-5-8(16)7-10(11)13(17)9-3-1-2-4-12(9)15/h1-7H
InChIKeyBRPJSZGOAXXNLP-UHFFFAOYSA-N
MW313.55 g/mol
LogP4.47
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone

(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone (PubChem CID 114963342) has the molecular formula C13H7BrClFO and a molecular weight of 313.55 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
PubChem CID114963342
Molecular FormulaC13H7BrClFO
Molecular Weight313.55 g/mol
Exact Mass311.94
IUPAC Name(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C13H7BrClFO/c14-11-6-5-8(16)7-10(11)13(17)9-3-1-2-4-12(9)15/h1-7H
InChIKeyBRPJSZGOAXXNLP-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
CID 105394203
(2-bromophenyl)-(2,5-difluorophenyl)methanone
CID 43159861
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
(2-chlorophenyl)-(2,4-dibromophenyl)methanone
CID 107944284
(2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone
CID 107923818
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
CID 115789832
(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161417
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanone
CID 107537912

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone (CID 114963342) is (2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone?
The InChIKey is BRPJSZGOAXXNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFO/c14-11-6-5-8(16)7-10(11)13(17)9-3-1-2-4-12(9)15/h1-7H.
What are the key properties of (2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone?
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone has a molecular weight of 313.55 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 114963342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).