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

C15H9BrClFO — CID 89086387

IUPAC(5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone
SMILESC=Cc1ccc(C(=O)c2cc(Br)c(F)cc2Cl)cc1
InChIInChI=1S/C15H9BrClFO/c1-2-9-3-5-10(6-4-9)15(19)11-7-12(16)14(18)8-13(11)17/h2-8H,1H2
InChIKeyKKPLCGAHAPQLAM-UHFFFAOYSA-N
MW339.59 g/mol
LogP5.12
Rot. Bonds3

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

(5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone (PubChem CID 89086387) has the molecular formula C15H9BrClFO and a molecular weight of 339.59 g/mol. Its IUPAC name is (5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone
PubChem CID89086387
Molecular FormulaC15H9BrClFO
Molecular Weight339.59 g/mol
Exact Mass337.95
IUPAC Name(5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone
SMILESC=Cc1ccc(C(=O)c2cc(Br)c(F)cc2Cl)cc1
InChIInChI=1S/C15H9BrClFO/c1-2-9-3-5-10(6-4-9)15(19)11-7-12(16)14(18)8-13(11)17/h2-8H,1H2
InChIKeyKKPLCGAHAPQLAM-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.59
LogP ≤ 55.12
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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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone?
The IUPAC name of (5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone (CID 89086387) is (5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone?
The canonical SMILES for (5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone is C=Cc1ccc(C(=O)c2cc(Br)c(F)cc2Cl)cc1.
What is the InChIKey of (5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone?
The InChIKey is KKPLCGAHAPQLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFO/c1-2-9-3-5-10(6-4-9)15(19)11-7-12(16)14(18)8-13(11)17/h2-8H,1H2.
What are the key properties of (5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone?
(5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone has a molecular weight of 339.59 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-4-fluorophenyl)-(4-ethenylphenyl)methanone is sourced from PubChem (CID 89086387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).