2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine

C10H16FN — CID 89186118

IUPAC2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine
SMILESC=CC(F)C1CCCC/C1=N\C
InChIInChI=1S/C10H16FN/c1-3-9(11)8-6-4-5-7-10(8)12-2/h3,8-9H,1,4-7H2,2H3/b12-10+
InChIKeyOCDAZOKNYRFDSB-ZRDIBKRKSA-N
MW169.24 g/mol
LogP2.77
Rot. Bonds2

About 2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine

2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine (PubChem CID 89186118) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine.

Molecular Properties

Compound Name2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine
PubChem CID89186118
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine
SMILESC=CC(F)C1CCCC/C1=N\C
InChIInChI=1S/C10H16FN/c1-3-9(11)8-6-4-5-7-10(8)12-2/h3,8-9H,1,4-7H2,2H3/b12-10+
InChIKeyOCDAZOKNYRFDSB-ZRDIBKRKSA-N
XLogP2.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine?
The IUPAC name of 2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine (CID 89186118) is 2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine.
What is the SMILES notation for 2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine?
The canonical SMILES for 2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine is C=CC(F)C1CCCC/C1=N\C.
What is the InChIKey of 2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine?
The InChIKey is OCDAZOKNYRFDSB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-9(11)8-6-4-5-7-10(8)12-2/h3,8-9H,1,4-7H2,2H3/b12-10+.
What are the key properties of 2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine?
2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine has a molecular weight of 169.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine is sourced from PubChem (CID 89186118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).