3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one

C11H17FO — CID 24821190

IUPAC3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one
SMILESCCCCCC1=C(CF)CCC1=O
InChIInChI=1S/C11H17FO/c1-2-3-4-5-10-9(8-12)6-7-11(10)13/h2-8H2,1H3
InChIKeyVGDCANBUNVPMAS-UHFFFAOYSA-N
MW184.25 g/mol
LogP3.20
Rot. Bonds5

About 3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one

3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one (PubChem CID 24821190) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one
PubChem CID24821190
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one
SMILESCCCCCC1=C(CF)CCC1=O
InChIInChI=1S/C11H17FO/c1-2-3-4-5-10-9(8-12)6-7-11(10)13/h2-8H2,1H3
InChIKeyVGDCANBUNVPMAS-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(fluoromethyl)-2-pentylcyclopent-2-en-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

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one?
The IUPAC name of 3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one (CID 24821190) is 3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one?
The canonical SMILES for 3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one is CCCCCC1=C(CF)CCC1=O.
What is the InChIKey of 3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one?
The InChIKey is VGDCANBUNVPMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-2-3-4-5-10-9(8-12)6-7-11(10)13/h2-8H2,1H3.
What are the key properties of 3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one?
3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one has a molecular weight of 184.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2-pentylcyclopent-2-en-1-one is sourced from PubChem (CID 24821190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).