(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone

C13H5Br2ClF2O — CID 106761942

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
SMILESO=C(c1cc(Br)ccc1F)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H5Br2ClF2O/c14-6-1-4-10(17)8(5-6)13(19)7-2-3-9(15)11(16)12(7)18/h1-5H
InChIKeyVNYWRMJLFIPIGB-UHFFFAOYSA-N
MW410.44 g/mol
LogP5.37
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone

(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone (PubChem CID 106761942) has the molecular formula C13H5Br2ClF2O and a molecular weight of 410.44 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
PubChem CID106761942
Molecular FormulaC13H5Br2ClF2O
Molecular Weight410.44 g/mol
Exact Mass407.84
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
SMILESO=C(c1cc(Br)ccc1F)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H5Br2ClF2O/c14-6-1-4-10(17)8(5-6)13(19)7-2-3-9(15)11(16)12(7)18/h1-5H
InChIKeyVNYWRMJLFIPIGB-UHFFFAOYSA-N
XLogP5.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)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

(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
CID 106764162
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanone
CID 106764172
(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 82703694
(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 106764125
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone (CID 106761942) is (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone is O=C(c1cc(Br)ccc1F)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone?
The InChIKey is VNYWRMJLFIPIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Br2ClF2O/c14-6-1-4-10(17)8(5-6)13(19)7-2-3-9(15)11(16)12(7)18/h1-5H.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone?
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone has a molecular weight of 410.44 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 106761942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).