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

C13H6BrCl2FO — CID 105398339

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C13H6BrCl2FO/c14-10-6-12(17)9(5-11(10)16)13(18)7-1-3-8(15)4-2-7/h1-6H
InChIKeyMFXGZMSNDDDCES-UHFFFAOYSA-N
MW348.00 g/mol
LogP5.13
Rot. Bonds2

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

(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone (PubChem CID 105398339) has the molecular formula C13H6BrCl2FO and a molecular weight of 348.00 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
PubChem CID105398339
Molecular FormulaC13H6BrCl2FO
Molecular Weight348.00 g/mol
Exact Mass345.90
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C13H6BrCl2FO/c14-10-6-12(17)9(5-11(10)16)13(18)7-1-3-8(15)4-2-7/h1-6H
InChIKeyMFXGZMSNDDDCES-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.00
LogP ≤ 55.13
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-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone
CID 105398225
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 105398296
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 105398222
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400273
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 105398308
(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970869
(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400274

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone (CID 105398339) is (4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone?
The InChIKey is MFXGZMSNDDDCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2FO/c14-10-6-12(17)9(5-11(10)16)13(18)7-1-3-8(15)4-2-7/h1-6H.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone?
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone has a molecular weight of 348.00 g/mol, XLogP of 5.13, 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-chlorophenyl)methanone is sourced from PubChem (CID 105398339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).