(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone

C15H11BrF2O3 — CID 107949862

IUPAC(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cccc(Br)c2F)cc1OC
InChIInChI=1S/C15H11BrF2O3/c1-20-12-6-9(11(17)7-13(12)21-2)15(19)8-4-3-5-10(16)14(8)18/h3-7H,1-2H3
InChIKeyDRBCIYXIVAGJTC-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.98
Rot. Bonds4

About (3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone

(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone (PubChem CID 107949862) has the molecular formula C15H11BrF2O3 and a molecular weight of 357.15 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
PubChem CID107949862
Molecular FormulaC15H11BrF2O3
Molecular Weight357.15 g/mol
Exact Mass355.99
IUPAC Name(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cccc(Br)c2F)cc1OC
InChIInChI=1S/C15H11BrF2O3/c1-20-12-6-9(11(17)7-13(12)21-2)15(19)8-4-3-5-10(16)14(8)18/h3-7H,1-2H3
InChIKeyDRBCIYXIVAGJTC-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62866561
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895
(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 114019718
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62865668
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114905847
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 105056401

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone (CID 107949862) is (3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone is COc1cc(F)c(C(=O)c2cccc(Br)c2F)cc1OC.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The InChIKey is DRBCIYXIVAGJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O3/c1-20-12-6-9(11(17)7-13(12)21-2)15(19)8-4-3-5-10(16)14(8)18/h3-7H,1-2H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone has a molecular weight of 357.15 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 107949862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).