1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine

C7H11F3N2 — CID 90654274

IUPAC1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine
SMILESCN1CCC/C1=N\CC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-12-4-2-3-6(12)11-5-7(8,9)10/h2-5H2,1H3/b11-6+
InChIKeyAWFOWIYDPAFMJX-IZZDOVSWSA-N
MW180.17 g/mol
LogP1.67
Rot. Bonds1

About 1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine

1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine (PubChem CID 90654274) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine
PubChem CID90654274
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine
SMILESCN1CCC/C1=N\CC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-12-4-2-3-6(12)11-5-7(8,9)10/h2-5H2,1H3/b11-6+
InChIKeyAWFOWIYDPAFMJX-IZZDOVSWSA-N
XLogP1.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
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-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine?
The IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine (CID 90654274) is 1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine is CN1CCC/C1=N\CC(F)(F)F.
What is the InChIKey of 1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine?
The InChIKey is AWFOWIYDPAFMJX-IZZDOVSWSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-12-4-2-3-6(12)11-5-7(8,9)10/h2-5H2,1H3/b11-6+.
What are the key properties of 1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine?
1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine has a molecular weight of 180.17 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine is sourced from PubChem (CID 90654274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).