(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone

C14H9BrF2O2 — CID 106644895

IUPAC(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C14H9BrF2O2/c1-19-11-7-3-6-10(16)12(11)14(18)8-4-2-5-9(15)13(8)17/h2-7H,1H3
InChIKeySKQFGMDVIQAVSO-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.97
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone

(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone (PubChem CID 106644895) has the molecular formula C14H9BrF2O2 and a molecular weight of 327.12 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
PubChem CID106644895
Molecular FormulaC14H9BrF2O2
Molecular Weight327.12 g/mol
Exact Mass325.98
IUPAC Name(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C14H9BrF2O2/c1-19-11-7-3-6-10(16)12(11)14(18)8-4-2-5-9(15)13(8)17/h2-7H,1H3
InChIKeySKQFGMDVIQAVSO-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
CID 103394058
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 114019718
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114905847

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone (CID 106644895) is (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone is COc1cccc(F)c1C(=O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone?
The InChIKey is SKQFGMDVIQAVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O2/c1-19-11-7-3-6-10(16)12(11)14(18)8-4-2-5-9(15)13(8)17/h2-7H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone?
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone has a molecular weight of 327.12 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 106644895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).