1-(3,3,3-trifluoropropyl)piperidin-2-imine

C8H13F3N2 — CID 63226726

IUPAC1-(3,3,3-trifluoropropyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CCC(F)(F)F
InChIInChI=1S/C8H13F3N2/c9-8(10,11)4-6-13-5-2-1-3-7(13)12/h12H,1-6H2/b12-7+
InChIKeyIEWOHYLHCKSTDJ-KPKJPENVSA-N
MW194.20 g/mol
LogP2.40
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)piperidin-2-imine

1-(3,3,3-trifluoropropyl)piperidin-2-imine (PubChem CID 63226726) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidin-2-imine
PubChem CID63226726
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1-(3,3,3-trifluoropropyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CCC(F)(F)F
InChIInChI=1S/C8H13F3N2/c9-8(10,11)4-6-13-5-2-1-3-7(13)12/h12H,1-6H2/b12-7+
InChIKeyIEWOHYLHCKSTDJ-KPKJPENVSA-N
XLogP2.40
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperidin-2-imine?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidin-2-imine (CID 63226726) is 1-(3,3,3-trifluoropropyl)piperidin-2-imine.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidin-2-imine?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidin-2-imine is [H]/N=C1\CCCCN1CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidin-2-imine?
The InChIKey is IEWOHYLHCKSTDJ-KPKJPENVSA-N. The full InChI is InChI=1S/C8H13F3N2/c9-8(10,11)4-6-13-5-2-1-3-7(13)12/h12H,1-6H2/b12-7+.
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidin-2-imine?
1-(3,3,3-trifluoropropyl)piperidin-2-imine has a molecular weight of 194.20 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidin-2-imine is sourced from PubChem (CID 63226726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).