5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one

C9H11FO2 — CID 70516354

IUPAC5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one
SMILESC=CC(F)C1C(=O)C=CC1(C)O
InChIInChI=1S/C9H11FO2/c1-3-6(10)8-7(11)4-5-9(8,2)12/h3-6,8,12H,1H2,2H3
InChIKeyQGFWHXLCKKYRMA-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.02
Rot. Bonds2

About 5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one

5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one (PubChem CID 70516354) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one
PubChem CID70516354
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one
SMILESC=CC(F)C1C(=O)C=CC1(C)O
InChIInChI=1S/C9H11FO2/c1-3-6(10)8-7(11)4-5-9(8,2)12/h3-6,8,12H,1H2,2H3
InChIKeyQGFWHXLCKKYRMA-UHFFFAOYSA-N
XLogP1.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one?
The IUPAC name of 5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one (CID 70516354) is 5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for 5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one?
The canonical SMILES for 5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one is C=CC(F)C1C(=O)C=CC1(C)O.
What is the InChIKey of 5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one?
The InChIKey is QGFWHXLCKKYRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-3-6(10)8-7(11)4-5-9(8,2)12/h3-6,8,12H,1H2,2H3.
What are the key properties of 5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one?
5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one has a molecular weight of 170.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroprop-2-enyl)-4-hydroxy-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 70516354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).