1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine

C7H10F3N3 — CID 147439403

IUPAC1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C7H10F3N3/c8-7(9,10)6(12)13-4-2-1-3-5(13)11/h11-12H,1-4H2/b11-5+,12-6+
InChIKeyDVXSSBGBZRJBAB-YDWXAUTNSA-N
MW193.17 g/mol
LogP1.99
Rot. Bonds

About 1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine

1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine (PubChem CID 147439403) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine
PubChem CID147439403
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C7H10F3N3/c8-7(9,10)6(12)13-4-2-1-3-5(13)11/h11-12H,1-4H2/b11-5+,12-6+
InChIKeyDVXSSBGBZRJBAB-YDWXAUTNSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine?
The IUPAC name of 1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine (CID 147439403) is 1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine.
What is the SMILES notation for 1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine?
The canonical SMILES for 1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine is [H]/N=C1\CCCCN1/C(=N/[H])C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine?
The InChIKey is DVXSSBGBZRJBAB-YDWXAUTNSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)6(12)13-4-2-1-3-5(13)11/h11-12H,1-4H2/b11-5+,12-6+.
What are the key properties of 1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine?
1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine has a molecular weight of 193.17 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine is sourced from PubChem (CID 147439403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).