2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene

C10H15F — CID 86582995

IUPAC2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene
SMILESCC(C)=C1CCC(C)=C(F)C1
InChIInChI=1S/C10H15F/c1-7(2)9-5-4-8(3)10(11)6-9/h4-6H2,1-3H3
InChIKeyJPTHAUQWJBUPMK-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.75
Rot. Bonds

About 2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene

2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene (PubChem CID 86582995) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene
PubChem CID86582995
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene
SMILESCC(C)=C1CCC(C)=C(F)C1
InChIInChI=1S/C10H15F/c1-7(2)9-5-4-8(3)10(11)6-9/h4-6H2,1-3H3
InChIKeyJPTHAUQWJBUPMK-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.75
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 2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene?
The IUPAC name of 2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene (CID 86582995) is 2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene.
What is the SMILES notation for 2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene?
The canonical SMILES for 2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene is CC(C)=C1CCC(C)=C(F)C1.
What is the InChIKey of 2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene?
The InChIKey is JPTHAUQWJBUPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-7(2)9-5-4-8(3)10(11)6-9/h4-6H2,1-3H3.
What are the key properties of 2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene?
2-fluoro-1-methyl-4-propan-2-ylidenecyclohexene has a molecular weight of 154.23 g/mol, XLogP of 3.75, 0 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-propan-2-ylidenecyclohexene is sourced from PubChem (CID 86582995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).