1-(2,2,2-trifluoroethyl)pyridin-2-imine

C7H7F3N2 — CID 90654285

IUPAC1-(2,2,2-trifluoroethyl)pyridin-2-imine
SMILES[H]/N=c1\ccccn1CC(F)(F)F
InChIInChI=1S/C7H7F3N2/c8-7(9,10)5-12-4-2-1-3-6(12)11/h1-4,11H,5H2/b11-6+
InChIKeyGBDTUPHZNREOIP-IZZDOVSWSA-N
MW176.14 g/mol
LogP1.53
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)pyridin-2-imine

1-(2,2,2-trifluoroethyl)pyridin-2-imine (PubChem CID 90654285) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyridin-2-imine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyridin-2-imine
PubChem CID90654285
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name1-(2,2,2-trifluoroethyl)pyridin-2-imine
SMILES[H]/N=c1\ccccn1CC(F)(F)F
InChIInChI=1S/C7H7F3N2/c8-7(9,10)5-12-4-2-1-3-6(12)11/h1-4,11H,5H2/b11-6+
InChIKeyGBDTUPHZNREOIP-IZZDOVSWSA-N
XLogP1.53
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyridin-2-imine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyridin-2-imine (CID 90654285) is 1-(2,2,2-trifluoroethyl)pyridin-2-imine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyridin-2-imine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyridin-2-imine is [H]/N=c1\ccccn1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyridin-2-imine?
The InChIKey is GBDTUPHZNREOIP-IZZDOVSWSA-N. The full InChI is InChI=1S/C7H7F3N2/c8-7(9,10)5-12-4-2-1-3-6(12)11/h1-4,11H,5H2/b11-6+.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyridin-2-imine?
1-(2,2,2-trifluoroethyl)pyridin-2-imine has a molecular weight of 176.14 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyridin-2-imine is sourced from PubChem (CID 90654285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).