3-fluorocyclohexene

C6H9F — CID 13406511

IUPAC3-fluorocyclohexene
SMILESFC1C=CCCC1
InChIInChI=1S/C6H9F/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKeyOYTBFGDMOREDSZ-UHFFFAOYSA-N
MW100.14 g/mol
LogP2.06
Rot. Bonds

About 3-fluorocyclohexene

3-fluorocyclohexene (PubChem CID 13406511) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 3-fluorocyclohexene.

Molecular Properties

Compound Name3-fluorocyclohexene
PubChem CID13406511
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name3-fluorocyclohexene
SMILESFC1C=CCCC1
InChIInChI=1S/C6H9F/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKeyOYTBFGDMOREDSZ-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 52.06
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-fluorocyclohexene?
The IUPAC name of 3-fluorocyclohexene (CID 13406511) is 3-fluorocyclohexene.
What is the SMILES notation for 3-fluorocyclohexene?
The canonical SMILES for 3-fluorocyclohexene is FC1C=CCCC1.
What is the InChIKey of 3-fluorocyclohexene?
The InChIKey is OYTBFGDMOREDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2.
What are the key properties of 3-fluorocyclohexene?
3-fluorocyclohexene has a molecular weight of 100.14 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorocyclohexene is sourced from PubChem (CID 13406511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).