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

C14H8Br2ClFO — CID 106764260

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2ccc(Br)c(Cl)c2F)c1
InChIInChI=1S/C14H8Br2ClFO/c1-7-2-4-10(15)9(6-7)14(19)8-3-5-11(16)12(17)13(8)18/h2-6H,1H3
InChIKeyDYEBFSQKQAINQH-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.54
Rot. Bonds2

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

(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone (PubChem CID 106764260) has the molecular formula C14H8Br2ClFO and a molecular weight of 406.48 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
PubChem CID106764260
Molecular FormulaC14H8Br2ClFO
Molecular Weight406.48 g/mol
Exact Mass403.86
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2ccc(Br)c(Cl)c2F)c1
InChIInChI=1S/C14H8Br2ClFO/c1-7-2-4-10(15)9(6-7)14(19)8-3-5-11(16)12(17)13(8)18/h2-6H,1H3
InChIKeyDYEBFSQKQAINQH-UHFFFAOYSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(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
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
CID 106764162
(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 106764125
(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695
(4-bromo-3-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 106764329

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone (CID 106764260) is (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone is Cc1ccc(Br)c(C(=O)c2ccc(Br)c(Cl)c2F)c1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone?
The InChIKey is DYEBFSQKQAINQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClFO/c1-7-2-4-10(15)9(6-7)14(19)8-3-5-11(16)12(17)13(8)18/h2-6H,1H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone?
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone has a molecular weight of 406.48 g/mol, XLogP of 5.54, 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)-(2-bromo-5-methylphenyl)methanone is sourced from PubChem (CID 106764260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).