1-(3-fluoroprop-2-ynyl)cyclopentene

C8H9F — CID 173104777

IUPAC1-(3-fluoroprop-2-ynyl)cyclopentene
SMILESFC#CCC1=CCCC1
InChIInChI=1S/C8H9F/c9-7-3-6-8-4-1-2-5-8/h4H,1-2,5-6H2
InChIKeyVLXIRVQQPVFXPL-UHFFFAOYSA-N
MW124.16 g/mol
LogP2.42
Rot. Bonds1

About 1-(3-fluoroprop-2-ynyl)cyclopentene

1-(3-fluoroprop-2-ynyl)cyclopentene (PubChem CID 173104777) has the molecular formula C8H9F and a molecular weight of 124.16 g/mol. Its IUPAC name is 1-(3-fluoroprop-2-ynyl)cyclopentene.

Molecular Properties

Compound Name1-(3-fluoroprop-2-ynyl)cyclopentene
PubChem CID173104777
Molecular FormulaC8H9F
Molecular Weight124.16 g/mol
Exact Mass124.07
IUPAC Name1-(3-fluoroprop-2-ynyl)cyclopentene
SMILESFC#CCC1=CCCC1
InChIInChI=1S/C8H9F/c9-7-3-6-8-4-1-2-5-8/h4H,1-2,5-6H2
InChIKeyVLXIRVQQPVFXPL-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroprop-2-ynyl)cyclopentene?
The IUPAC name of 1-(3-fluoroprop-2-ynyl)cyclopentene (CID 173104777) is 1-(3-fluoroprop-2-ynyl)cyclopentene.
What is the SMILES notation for 1-(3-fluoroprop-2-ynyl)cyclopentene?
The canonical SMILES for 1-(3-fluoroprop-2-ynyl)cyclopentene is FC#CCC1=CCCC1.
What is the InChIKey of 1-(3-fluoroprop-2-ynyl)cyclopentene?
The InChIKey is VLXIRVQQPVFXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F/c9-7-3-6-8-4-1-2-5-8/h4H,1-2,5-6H2.
What are the key properties of 1-(3-fluoroprop-2-ynyl)cyclopentene?
1-(3-fluoroprop-2-ynyl)cyclopentene has a molecular weight of 124.16 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroprop-2-ynyl)cyclopentene is sourced from PubChem (CID 173104777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).