2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one

C14H16BrFO — CID 135075009

IUPAC2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(Br)CC1CCCC1
InChIInChI=1S/C14H16BrFO/c15-14(16,10-11-6-4-5-7-11)13(17)12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10H2
InChIKeyXKPCBKBGEOLUDK-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.51
Rot. Bonds4

About 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one

2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one (PubChem CID 135075009) has the molecular formula C14H16BrFO and a molecular weight of 299.18 g/mol. Its IUPAC name is 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one
PubChem CID135075009
Molecular FormulaC14H16BrFO
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(Br)CC1CCCC1
InChIInChI=1S/C14H16BrFO/c15-14(16,10-11-6-4-5-7-11)13(17)12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10H2
InChIKeyXKPCBKBGEOLUDK-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenacyl bromide
CID 6259
Cyclohexyl phenyl ketone
CID 12837
2-Bromopropiophenone
CID 16452
1-Propanone, 2,3-dibromo-1,3-diphenyl-
CID 95342
1,3-Propanedione, 2-bromo-1,3-diphenyl-
CID 12890
2-Bromo-1,2-diphenylethan-1-one
CID 102630
2-Bromo-4'-methylacetophenone
CID 69272
1-(4-Fluorophenyl)pentan-1-one
CID 69729
Cyclopentylphenylmethanone
CID 79464
2-Bromo-4'-(trifluoromethyl)acetophenone
CID 321979
4-Methyl-1-phenylpentan-1-one
CID 80301
1-[3-(Bromomethyl)phenyl]-2,2,2-trifluoroethan-1-one
CID 10858440

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one?
The IUPAC name of 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one (CID 135075009) is 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one.
What is the SMILES notation for 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one?
The canonical SMILES for 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one is O=C(c1ccccc1)C(F)(Br)CC1CCCC1.
What is the InChIKey of 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one?
The InChIKey is XKPCBKBGEOLUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFO/c15-14(16,10-11-6-4-5-7-11)13(17)12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10H2.
What are the key properties of 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one?
2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one has a molecular weight of 299.18 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one is sourced from PubChem (CID 135075009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).