2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene

C10H15F — CID 86582993

IUPAC2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CCC(C)=C(F)C1
InChIInChI=1S/C10H15F/c1-7(2)9-5-4-8(3)10(11)6-9/h9H,1,4-6H2,2-3H3
InChIKeyYNVQSIBMVRQFOU-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.61
Rot. Bonds1

About 2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene

2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 86582993) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID86582993
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CCC(C)=C(F)C1
InChIInChI=1S/C10H15F/c1-7(2)9-5-4-8(3)10(11)6-9/h9H,1,4-6H2,2-3H3
InChIKeyYNVQSIBMVRQFOU-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.61
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

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
alpha-Bisabolene
CID 86597
(Z)-alpha-Bisabolene
CID 5352653
alpha-Bisabolene, (E)-
CID 5315468
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-beta-Curcumene
CID 14014430
(E,R)-alpha-bisabolene
CID 13252682
Sylvestrene
CID 12304570
(R)-beta-bisabolene
CID 68128

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 86582993) is 2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CCC(C)=C(F)C1.
What is the InChIKey of 2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is YNVQSIBMVRQFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-7(2)9-5-4-8(3)10(11)6-9/h9H,1,4-6H2,2-3H3.
What are the key properties of 2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene?
2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 154.23 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 86582993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).