1-fluoro-6-hexylcyclohexene

C12H21F — CID 134863298

IUPAC1-fluoro-6-hexylcyclohexene
SMILESCCCCCCC1CCCC=C1F
InChIInChI=1S/C12H21F/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h10-11H,2-9H2,1H3
InChIKeyNYYQPDRGAVABHY-UHFFFAOYSA-N
MW184.30 g/mol
LogP4.61
Rot. Bonds5

About 1-fluoro-6-hexylcyclohexene

1-fluoro-6-hexylcyclohexene (PubChem CID 134863298) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-fluoro-6-hexylcyclohexene.

Molecular Properties

Compound Name1-fluoro-6-hexylcyclohexene
PubChem CID134863298
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Name1-fluoro-6-hexylcyclohexene
SMILESCCCCCCC1CCCC=C1F
InChIInChI=1S/C12H21F/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h10-11H,2-9H2,1H3
InChIKeyNYYQPDRGAVABHY-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
alpha-Camphorene
CID 101750
p-Menth-1-ene
CID 21671
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
alpha-Bisabolene, (E)-
CID 5315468
beta-Terpinene
CID 66841
(+)-p-Menth-1-ene
CID 70954

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-hexylcyclohexene?
The IUPAC name of 1-fluoro-6-hexylcyclohexene (CID 134863298) is 1-fluoro-6-hexylcyclohexene.
What is the SMILES notation for 1-fluoro-6-hexylcyclohexene?
The canonical SMILES for 1-fluoro-6-hexylcyclohexene is CCCCCCC1CCCC=C1F.
What is the InChIKey of 1-fluoro-6-hexylcyclohexene?
The InChIKey is NYYQPDRGAVABHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h10-11H,2-9H2,1H3.
What are the key properties of 1-fluoro-6-hexylcyclohexene?
1-fluoro-6-hexylcyclohexene has a molecular weight of 184.30 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-hexylcyclohexene is sourced from PubChem (CID 134863298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).