(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone

C14H8BrClF2O2 — CID 115781775

IUPAC(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(F)cc(Br)cc2F)ccc1Cl
InChIInChI=1S/C14H8BrClF2O2/c1-20-12-4-7(2-3-9(12)16)14(19)13-10(17)5-8(15)6-11(13)18/h2-6H,1H3
InChIKeyGVNUEPBYAVNDOK-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.62
Rot. Bonds3

About (4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone

(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone (PubChem CID 115781775) has the molecular formula C14H8BrClF2O2 and a molecular weight of 361.57 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
PubChem CID115781775
Molecular FormulaC14H8BrClF2O2
Molecular Weight361.57 g/mol
Exact Mass359.94
IUPAC Name(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(F)cc(Br)cc2F)ccc1Cl
InChIInChI=1S/C14H8BrClF2O2/c1-20-12-4-7(2-3-9(12)16)14(19)13-10(17)5-8(15)6-11(13)18/h2-6H,1H3
InChIKeyGVNUEPBYAVNDOK-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82873343
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone (CID 115781775) is (4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone is COc1cc(C(=O)c2c(F)cc(Br)cc2F)ccc1Cl.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone?
The InChIKey is GVNUEPBYAVNDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O2/c1-20-12-4-7(2-3-9(12)16)14(19)13-10(17)5-8(15)6-11(13)18/h2-6H,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone?
(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone has a molecular weight of 361.57 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone is sourced from PubChem (CID 115781775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).