(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone

C14H8Br2F2O2 — CID 103394058

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1c(F)cccc1Br
InChIInChI=1S/C14H8Br2F2O2/c1-20-12-6-11(18)9(16)5-7(12)14(19)13-8(15)3-2-4-10(13)17/h2-6H,1H3
InChIKeyBTVTVCKIMOAGPE-UHFFFAOYSA-N
MW406.02 g/mol
LogP4.73
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone

(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone (PubChem CID 103394058) has the molecular formula C14H8Br2F2O2 and a molecular weight of 406.02 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
PubChem CID103394058
Molecular FormulaC14H8Br2F2O2
Molecular Weight406.02 g/mol
Exact Mass403.89
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1c(F)cccc1Br
InChIInChI=1S/C14H8Br2F2O2/c1-20-12-6-11(18)9(16)5-7(12)14(19)13-8(15)3-2-4-10(13)17/h2-6H,1H3
InChIKeyBTVTVCKIMOAGPE-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.02
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone
CID 103394235
(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114558708
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 103394164
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone
CID 106851427
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 105056401
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanone
CID 103394263
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62866561

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone (CID 103394058) is (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone is COc1cc(F)c(Br)cc1C(=O)c1c(F)cccc1Br.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone?
The InChIKey is BTVTVCKIMOAGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F2O2/c1-20-12-6-11(18)9(16)5-7(12)14(19)13-8(15)3-2-4-10(13)17/h2-6H,1H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone?
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone has a molecular weight of 406.02 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone is sourced from PubChem (CID 103394058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).