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

C14H9BrF2O2 — CID 114905847

IUPAC(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Br)cc2F)c1F
InChIInChI=1S/C14H9BrF2O2/c1-19-12-4-2-3-10(13(12)17)14(18)9-6-5-8(15)7-11(9)16/h2-7H,1H3
InChIKeyVSPFCZSWKJIEGP-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.97
Rot. Bonds3

About (4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone

(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 114905847) has the molecular formula C14H9BrF2O2 and a molecular weight of 327.12 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID114905847
Molecular FormulaC14H9BrF2O2
Molecular Weight327.12 g/mol
Exact Mass325.98
IUPAC Name(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Br)cc2F)c1F
InChIInChI=1S/C14H9BrF2O2/c1-19-12-4-2-3-10(13(12)17)14(18)9-6-5-8(15)7-11(9)16/h2-7H,1H3
InChIKeyVSPFCZSWKJIEGP-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 (4-bromo-2-fluorophenyl)-(2-fluoro-3-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

bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
(4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561646
(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 115792767
(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116582093
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
CID 106764162

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone (CID 114905847) is (4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(Br)cc2F)c1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is VSPFCZSWKJIEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O2/c1-19-12-4-2-3-10(13(12)17)14(18)9-6-5-8(15)7-11(9)16/h2-7H,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
(4-bromo-2-fluorophenyl)-(2-fluoro-3-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 (4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 114905847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).