1-(fluoromethyl)cyclohexene

C7H11F — CID 66612952

IUPAC1-(fluoromethyl)cyclohexene
SMILESFCC1=CCCCC1
InChIInChI=1S/C7H11F/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyCPGQBNOELIWWEK-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.46
Rot. Bonds1

About 1-(fluoromethyl)cyclohexene

1-(fluoromethyl)cyclohexene (PubChem CID 66612952) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 1-(fluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-(fluoromethyl)cyclohexene
PubChem CID66612952
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name1-(fluoromethyl)cyclohexene
SMILESFCC1=CCCCC1
InChIInChI=1S/C7H11F/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyCPGQBNOELIWWEK-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.46
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-(fluoromethyl)cyclohexene?
The IUPAC name of 1-(fluoromethyl)cyclohexene (CID 66612952) is 1-(fluoromethyl)cyclohexene.
What is the SMILES notation for 1-(fluoromethyl)cyclohexene?
The canonical SMILES for 1-(fluoromethyl)cyclohexene is FCC1=CCCCC1.
What is the InChIKey of 1-(fluoromethyl)cyclohexene?
The InChIKey is CPGQBNOELIWWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2.
What are the key properties of 1-(fluoromethyl)cyclohexene?
1-(fluoromethyl)cyclohexene has a molecular weight of 114.16 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)cyclohexene is sourced from PubChem (CID 66612952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).