3-(fluoromethyl)cyclopentene

C6H9F — CID 89202856

IUPAC3-(fluoromethyl)cyclopentene
SMILESFCC1C=CCC1
InChIInChI=1S/C6H9F/c7-5-6-3-1-2-4-6/h1,3,6H,2,4-5H2
InChIKeyAZZZIMVTESKNKJ-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.92
Rot. Bonds1

About 3-(fluoromethyl)cyclopentene

3-(fluoromethyl)cyclopentene (PubChem CID 89202856) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 3-(fluoromethyl)cyclopentene.

Molecular Properties

Compound Name3-(fluoromethyl)cyclopentene
PubChem CID89202856
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name3-(fluoromethyl)cyclopentene
SMILESFCC1C=CCC1
InChIInChI=1S/C6H9F/c7-5-6-3-1-2-4-6/h1,3,6H,2,4-5H2
InChIKeyAZZZIMVTESKNKJ-UHFFFAOYSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3-(fluoromethyl)cyclopentene?
The IUPAC name of 3-(fluoromethyl)cyclopentene (CID 89202856) is 3-(fluoromethyl)cyclopentene.
What is the SMILES notation for 3-(fluoromethyl)cyclopentene?
The canonical SMILES for 3-(fluoromethyl)cyclopentene is FCC1C=CCC1.
What is the InChIKey of 3-(fluoromethyl)cyclopentene?
The InChIKey is AZZZIMVTESKNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c7-5-6-3-1-2-4-6/h1,3,6H,2,4-5H2.
What are the key properties of 3-(fluoromethyl)cyclopentene?
3-(fluoromethyl)cyclopentene has a molecular weight of 100.14 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)cyclopentene is sourced from PubChem (CID 89202856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).