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

C13H5Br2Cl2FO — CID 105398380

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
SMILESO=C(c1cc(Cl)c(Br)cc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H5Br2Cl2FO/c14-6-1-2-7(10(16)3-6)13(19)8-4-11(17)9(15)5-12(8)18/h1-5H
InChIKeyFCFFIHDQNLJWGI-UHFFFAOYSA-N
MW426.89 g/mol
LogP5.89
Rot. Bonds2

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

(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone (PubChem CID 105398380) has the molecular formula C13H5Br2Cl2FO and a molecular weight of 426.89 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
PubChem CID105398380
Molecular FormulaC13H5Br2Cl2FO
Molecular Weight426.89 g/mol
Exact Mass423.81
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
SMILESO=C(c1cc(Cl)c(Br)cc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H5Br2Cl2FO/c14-6-1-2-7(10(16)3-6)13(19)8-4-11(17)9(15)5-12(8)18/h1-5H
InChIKeyFCFFIHDQNLJWGI-UHFFFAOYSA-N
XLogP5.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.89
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanone
CID 114965969
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400273
(4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561646
(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400274
(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 105398296
(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone
CID 105398225

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone (CID 105398380) is (4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone is O=C(c1cc(Cl)c(Br)cc1F)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone?
The InChIKey is FCFFIHDQNLJWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Br2Cl2FO/c14-6-1-2-7(10(16)3-6)13(19)8-4-11(17)9(15)5-12(8)18/h1-5H.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone?
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone has a molecular weight of 426.89 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone is sourced from PubChem (CID 105398380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).