6-fluoro-1-methylcyclohexene

C7H11F — CID 66792370

IUPAC6-fluoro-1-methylcyclohexene
SMILESCC1=CCCCC1F
InChIInChI=1S/C7H11F/c1-6-4-2-3-5-7(6)8/h4,7H,2-3,5H2,1H3
InChIKeyXDBLGXNQEOSXBT-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.45
Rot. Bonds

About 6-fluoro-1-methylcyclohexene

6-fluoro-1-methylcyclohexene (PubChem CID 66792370) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 6-fluoro-1-methylcyclohexene.

Molecular Properties

Compound Name6-fluoro-1-methylcyclohexene
PubChem CID66792370
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name6-fluoro-1-methylcyclohexene
SMILESCC1=CCCCC1F
InChIInChI=1S/C7H11F/c1-6-4-2-3-5-7(6)8/h4,7H,2-3,5H2,1H3
InChIKeyXDBLGXNQEOSXBT-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Terpinolene
CID 11463
1-Methylcyclohexene
CID 11574
1-Ethylcyclohexene
CID 73937
gamma-Bisabolene
CID 62346
gamma-BISABOLENE, (E)-
CID 5352437
gamma-Bisabolene, (Z)-
CID 3033866
1-Ethylcyclopentene
CID 137448
1-Methyl-5-(propan-2-ylidene)cyclohex-1-ene
CID 11040762
1-Fluorocyclohexene
CID 11182579
(E)-iso-gamma-bisabolene
CID 11458379
Bisabola-2,6,11-triene
CID 60113331
1-(Difluoromethyl)cyclohexene
CID 13431149

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methylcyclohexene?
The IUPAC name of 6-fluoro-1-methylcyclohexene (CID 66792370) is 6-fluoro-1-methylcyclohexene.
What is the SMILES notation for 6-fluoro-1-methylcyclohexene?
The canonical SMILES for 6-fluoro-1-methylcyclohexene is CC1=CCCCC1F.
What is the InChIKey of 6-fluoro-1-methylcyclohexene?
The InChIKey is XDBLGXNQEOSXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-6-4-2-3-5-7(6)8/h4,7H,2-3,5H2,1H3.
What are the key properties of 6-fluoro-1-methylcyclohexene?
6-fluoro-1-methylcyclohexene has a molecular weight of 114.16 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methylcyclohexene is sourced from PubChem (CID 66792370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).