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

C14H8Br2ClFO2 — CID 106764162

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H8Br2ClFO2/c1-20-11-6-7(15)2-3-8(11)14(19)9-4-5-10(16)12(17)13(9)18/h2-6H,1H3
InChIKeyWYULWBXGMSVFDN-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.24
Rot. Bonds3

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

(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone (PubChem CID 106764162) has the molecular formula C14H8Br2ClFO2 and a molecular weight of 422.48 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
PubChem CID106764162
Molecular FormulaC14H8Br2ClFO2
Molecular Weight422.48 g/mol
Exact Mass419.86
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H8Br2ClFO2/c1-20-11-6-7(15)2-3-8(11)14(19)9-4-5-10(16)12(17)13(9)18/h2-6H,1H3
InChIKeyWYULWBXGMSVFDN-UHFFFAOYSA-N
XLogP5.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanone
CID 106764172
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 106764270
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114905847
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790410
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone (CID 106764162) is (4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone is COc1cc(Br)ccc1C(=O)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone?
The InChIKey is WYULWBXGMSVFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClFO2/c1-20-11-6-7(15)2-3-8(11)14(19)9-4-5-10(16)12(17)13(9)18/h2-6H,1H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone?
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone has a molecular weight of 422.48 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone is sourced from PubChem (CID 106764162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).