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

C15H11BrF2O3 — CID 62865668

IUPAC(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(F)ccc2Br)cc1OC
InChIInChI=1S/C15H11BrF2O3/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(17)3-4-11(9)16/h3-7H,1-2H3
InChIKeyQRXUOEGQVMPCMC-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.98
Rot. Bonds4

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

(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone (PubChem CID 62865668) has the molecular formula C15H11BrF2O3 and a molecular weight of 357.15 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
PubChem CID62865668
Molecular FormulaC15H11BrF2O3
Molecular Weight357.15 g/mol
Exact Mass355.99
IUPAC Name(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(F)ccc2Br)cc1OC
InChIInChI=1S/C15H11BrF2O3/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(17)3-4-11(9)16/h3-7H,1-2H3
InChIKeyQRXUOEGQVMPCMC-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
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methanone
CID 114962473
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone (CID 62865668) is (2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone is COc1cc(F)c(C(=O)c2cc(F)ccc2Br)cc1OC.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
The InChIKey is QRXUOEGQVMPCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O3/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(17)3-4-11(9)16/h3-7H,1-2H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone?
(2-bromo-5-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 (2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 62865668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).