1-(trifluoromethyl)cyclopentene

C6H7F3 — CID 13196956

IUPAC1-(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=CCCC1
InChIInChI=1S/C6H7F3/c7-6(8,9)5-3-1-2-4-5/h3H,1-2,4H2
InChIKeyHTPRFJBRKBWRCV-UHFFFAOYSA-N
MW136.12 g/mol
LogP2.66
Rot. Bonds

About 1-(trifluoromethyl)cyclopentene

1-(trifluoromethyl)cyclopentene (PubChem CID 13196956) has the molecular formula C6H7F3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclopentene
PubChem CID13196956
Molecular FormulaC6H7F3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name1-(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=CCCC1
InChIInChI=1S/C6H7F3/c7-6(8,9)5-3-1-2-4-5/h3H,1-2,4H2
InChIKeyHTPRFJBRKBWRCV-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.66
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 1-(trifluoromethyl)cyclopentene?
The IUPAC name of 1-(trifluoromethyl)cyclopentene (CID 13196956) is 1-(trifluoromethyl)cyclopentene.
What is the SMILES notation for 1-(trifluoromethyl)cyclopentene?
The canonical SMILES for 1-(trifluoromethyl)cyclopentene is FC(F)(F)C1=CCCC1.
What is the InChIKey of 1-(trifluoromethyl)cyclopentene?
The InChIKey is HTPRFJBRKBWRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3/c7-6(8,9)5-3-1-2-4-5/h3H,1-2,4H2.
What are the key properties of 1-(trifluoromethyl)cyclopentene?
1-(trifluoromethyl)cyclopentene has a molecular weight of 136.12 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclopentene is sourced from PubChem (CID 13196956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).