1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one

C11H11BrClFO — CID 87427145

IUPAC1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one
SMILESO=C(CCCCl)C(Br)c1ccccc1F
InChIInChI=1S/C11H11BrClFO/c12-11(10(15)6-3-7-13)8-4-1-2-5-9(8)14/h1-2,4-5,11H,3,6-7H2
InChIKeyGLASEZJRERSCSF-UHFFFAOYSA-N
MW293.56 g/mol
LogP3.85
Rot. Bonds5

About 1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one

1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one (PubChem CID 87427145) has the molecular formula C11H11BrClFO and a molecular weight of 293.56 g/mol. Its IUPAC name is 1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one
PubChem CID87427145
Molecular FormulaC11H11BrClFO
Molecular Weight293.56 g/mol
Exact Mass291.97
IUPAC Name1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one
SMILESO=C(CCCCl)C(Br)c1ccccc1F
InChIInChI=1S/C11H11BrClFO/c12-11(10(15)6-3-7-13)8-4-1-2-5-9(8)14/h1-2,4-5,11H,3,6-7H2
InChIKeyGLASEZJRERSCSF-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.56
LogP ≤ 53.85
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 1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one?
The IUPAC name of 1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one (CID 87427145) is 1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one.
What is the SMILES notation for 1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one?
The canonical SMILES for 1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one is O=C(CCCCl)C(Br)c1ccccc1F.
What is the InChIKey of 1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one?
The InChIKey is GLASEZJRERSCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO/c12-11(10(15)6-3-7-13)8-4-1-2-5-9(8)14/h1-2,4-5,11H,3,6-7H2.
What are the key properties of 1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one?
1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one has a molecular weight of 293.56 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one is sourced from PubChem (CID 87427145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).