5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one

C11H11BrClFO — CID 67510665

IUPAC5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one
SMILESCC(=O)CCC(Cl)(Br)c1ccccc1F
InChIInChI=1S/C11H11BrClFO/c1-8(15)6-7-11(12,13)9-4-2-3-5-10(9)14/h2-5H,6-7H2,1H3
InChIKeyLHHMAJZMSOPSSN-UHFFFAOYSA-N
MW293.56 g/mol
LogP3.98
Rot. Bonds4

About 5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one

5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one (PubChem CID 67510665) has the molecular formula C11H11BrClFO and a molecular weight of 293.56 g/mol. Its IUPAC name is 5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one
PubChem CID67510665
Molecular FormulaC11H11BrClFO
Molecular Weight293.56 g/mol
Exact Mass291.97
IUPAC Name5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one
SMILESCC(=O)CCC(Cl)(Br)c1ccccc1F
InChIInChI=1S/C11H11BrClFO/c1-8(15)6-7-11(12,13)9-4-2-3-5-10(9)14/h2-5H,6-7H2,1H3
InChIKeyLHHMAJZMSOPSSN-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.56
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one?
The IUPAC name of 5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one (CID 67510665) is 5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one.
What is the SMILES notation for 5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one?
The canonical SMILES for 5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one is CC(=O)CCC(Cl)(Br)c1ccccc1F.
What is the InChIKey of 5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one?
The InChIKey is LHHMAJZMSOPSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO/c1-8(15)6-7-11(12,13)9-4-2-3-5-10(9)14/h2-5H,6-7H2,1H3.
What are the key properties of 5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one?
5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one has a molecular weight of 293.56 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5-chloro-5-(2-fluorophenyl)pentan-2-one is sourced from PubChem (CID 67510665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).