(3S)-3-fluorocyclohexene

C6H9F — CID 102264245

IUPAC(3S)-3-fluorocyclohexene
SMILESF[C@@H]1C=CCCC1
InChIInChI=1S/C6H9F/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2/t6-/m1/s1
InChIKeyOYTBFGDMOREDSZ-ZCFIWIBFSA-N
MW100.14 g/mol
LogP2.06
Rot. Bonds

About (3S)-3-fluorocyclohexene

(3S)-3-fluorocyclohexene (PubChem CID 102264245) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is (3S)-3-fluorocyclohexene.

Molecular Properties

Compound Name(3S)-3-fluorocyclohexene
PubChem CID102264245
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name(3S)-3-fluorocyclohexene
SMILESF[C@@H]1C=CCCC1
InChIInChI=1S/C6H9F/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2/t6-/m1/s1
InChIKeyOYTBFGDMOREDSZ-ZCFIWIBFSA-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 (3S)-3-fluorocyclohexene?
The IUPAC name of (3S)-3-fluorocyclohexene (CID 102264245) is (3S)-3-fluorocyclohexene.
What is the SMILES notation for (3S)-3-fluorocyclohexene?
The canonical SMILES for (3S)-3-fluorocyclohexene is F[C@@H]1C=CCCC1.
What is the InChIKey of (3S)-3-fluorocyclohexene?
The InChIKey is OYTBFGDMOREDSZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H9F/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2/t6-/m1/s1.
What are the key properties of (3S)-3-fluorocyclohexene?
(3S)-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 (3S)-3-fluorocyclohexene is sourced from PubChem (CID 102264245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).