1-(5,5,5-trifluoropentyl)piperidin-2-imine

C10H17F3N2 — CID 115520455

IUPAC1-(5,5,5-trifluoropentyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CCCCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c11-10(12,13)6-2-4-8-15-7-3-1-5-9(15)14/h14H,1-8H2/b14-9+
InChIKeyYOMPUXLSMATLNM-NTEUORMPSA-N
MW222.25 g/mol
LogP3.18
Rot. Bonds4

About 1-(5,5,5-trifluoropentyl)piperidin-2-imine

1-(5,5,5-trifluoropentyl)piperidin-2-imine (PubChem CID 115520455) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(5,5,5-trifluoropentyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(5,5,5-trifluoropentyl)piperidin-2-imine
PubChem CID115520455
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name1-(5,5,5-trifluoropentyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CCCCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c11-10(12,13)6-2-4-8-15-7-3-1-5-9(15)14/h14H,1-8H2/b14-9+
InChIKeyYOMPUXLSMATLNM-NTEUORMPSA-N
XLogP3.18
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5,5-trifluoropentyl)piperidin-2-imine?
The IUPAC name of 1-(5,5,5-trifluoropentyl)piperidin-2-imine (CID 115520455) is 1-(5,5,5-trifluoropentyl)piperidin-2-imine.
What is the SMILES notation for 1-(5,5,5-trifluoropentyl)piperidin-2-imine?
The canonical SMILES for 1-(5,5,5-trifluoropentyl)piperidin-2-imine is [H]/N=C1\CCCCN1CCCCC(F)(F)F.
What is the InChIKey of 1-(5,5,5-trifluoropentyl)piperidin-2-imine?
The InChIKey is YOMPUXLSMATLNM-NTEUORMPSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)6-2-4-8-15-7-3-1-5-9(15)14/h14H,1-8H2/b14-9+.
What are the key properties of 1-(5,5,5-trifluoropentyl)piperidin-2-imine?
1-(5,5,5-trifluoropentyl)piperidin-2-imine has a molecular weight of 222.25 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,5-trifluoropentyl)piperidin-2-imine is sourced from PubChem (CID 115520455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).