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

C13H7BrF2O — CID 114558647

IUPAC(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1c(F)cccc1Br
InChIInChI=1S/C13H7BrF2O/c14-10-2-1-3-11(16)12(10)13(17)8-4-6-9(15)7-5-8/h1-7H
InChIKeyBWORXPQVMLFCSI-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.96
Rot. Bonds2

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

(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone (PubChem CID 114558647) has the molecular formula C13H7BrF2O and a molecular weight of 297.10 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
PubChem CID114558647
Molecular FormulaC13H7BrF2O
Molecular Weight297.10 g/mol
Exact Mass295.96
IUPAC Name(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1c(F)cccc1Br
InChIInChI=1S/C13H7BrF2O/c14-10-2-1-3-11(16)12(10)13(17)8-4-6-9(15)7-5-8/h1-7H
InChIKeyBWORXPQVMLFCSI-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 114558735
(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114558708
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
(2-bromo-6-fluorophenyl)-(5-bromofuran-2-yl)methanone
CID 114558761
(2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone
CID 114885310
(2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 114885417
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
1-(2-bromo-6-fluorophenyl)prop-2-en-1-one
CID 114885459
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone (CID 114558647) is (2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone?
The InChIKey is BWORXPQVMLFCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2O/c14-10-2-1-3-11(16)12(10)13(17)8-4-6-9(15)7-5-8/h1-7H.
What are the key properties of (2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone?
(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone has a molecular weight of 297.10 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 114558647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).