(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone

C13H5Br2ClF2O — CID 114024411

IUPAC(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)c(Br)cc1F)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H5Br2ClF2O/c14-9-3-6(16)1-2-7(9)13(19)8-4-12(18)10(15)5-11(8)17/h1-5H
InChIKeyVBIWPCVAYVFNCM-UHFFFAOYSA-N
MW410.44 g/mol
LogP5.37
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone

(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone (PubChem CID 114024411) has the molecular formula C13H5Br2ClF2O and a molecular weight of 410.44 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
PubChem CID114024411
Molecular FormulaC13H5Br2ClF2O
Molecular Weight410.44 g/mol
Exact Mass407.84
IUPAC Name(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)c(Br)cc1F)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H5Br2ClF2O/c14-9-3-6(16)1-2-7(9)13(19)8-4-12(18)10(15)5-11(8)17/h1-5H
InChIKeyVBIWPCVAYVFNCM-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_1', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(2-bromo-4-chlorophenyl)-(3-fluorophenyl)methanone
CID 107996213
4-bromo-2,5-difluorobenzamide
CID 53418047
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone
CID 79595945
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone (CID 114024411) is (2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone is O=C(c1cc(F)c(Br)cc1F)c1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone?
The InChIKey is VBIWPCVAYVFNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Br2ClF2O/c14-9-3-6(16)1-2-7(9)13(19)8-4-12(18)10(15)5-11(8)17/h1-5H.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone?
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)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 (2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone is sourced from PubChem (CID 114024411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).