(4E)-4-(1-fluoroethylidene)-1-methylcyclohexene

C9H13F — CID 89143282

IUPAC(4E)-4-(1-fluoroethylidene)-1-methylcyclohexene
SMILESCC1=CC/C(=C(\C)F)CC1
InChIInChI=1S/C9H13F/c1-7-3-5-9(6-4-7)8(2)10/h3H,4-6H2,1-2H3/b9-8-
InChIKeyRZKMCJUOTYNCDF-HJWRWDBZSA-N
MW140.20 g/mol
LogP3.36
Rot. Bonds

About (4E)-4-(1-fluoroethylidene)-1-methylcyclohexene

(4E)-4-(1-fluoroethylidene)-1-methylcyclohexene (PubChem CID 89143282) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is (4E)-4-(1-fluoroethylidene)-1-methylcyclohexene.

Molecular Properties

Compound Name(4E)-4-(1-fluoroethylidene)-1-methylcyclohexene
PubChem CID89143282
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name(4E)-4-(1-fluoroethylidene)-1-methylcyclohexene
SMILESCC1=CC/C(=C(\C)F)CC1
InChIInChI=1S/C9H13F/c1-7-3-5-9(6-4-7)8(2)10/h3H,4-6H2,1-2H3/b9-8-
InChIKeyRZKMCJUOTYNCDF-HJWRWDBZSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.36
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 (4E)-4-(1-fluoroethylidene)-1-methylcyclohexene?
The IUPAC name of (4E)-4-(1-fluoroethylidene)-1-methylcyclohexene (CID 89143282) is (4E)-4-(1-fluoroethylidene)-1-methylcyclohexene.
What is the SMILES notation for (4E)-4-(1-fluoroethylidene)-1-methylcyclohexene?
The canonical SMILES for (4E)-4-(1-fluoroethylidene)-1-methylcyclohexene is CC1=CC/C(=C(\C)F)CC1.
What is the InChIKey of (4E)-4-(1-fluoroethylidene)-1-methylcyclohexene?
The InChIKey is RZKMCJUOTYNCDF-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H13F/c1-7-3-5-9(6-4-7)8(2)10/h3H,4-6H2,1-2H3/b9-8-.
What are the key properties of (4E)-4-(1-fluoroethylidene)-1-methylcyclohexene?
(4E)-4-(1-fluoroethylidene)-1-methylcyclohexene has a molecular weight of 140.20 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(1-fluoroethylidene)-1-methylcyclohexene is sourced from PubChem (CID 89143282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).