(4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine

C7H11F3N2 — CID 162594716

IUPAC(4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine
SMILES[H]/N=C1\CN(CC(F)(F)F)C[C@H]1C
InChIInChI=1S/C7H11F3N2/c1-5-2-12(3-6(5)11)4-7(8,9)10/h5,11H,2-4H2,1H3/b11-6+/t5-/m1/s1
InChIKeyLEFAMUWXOHPREO-WXEKBURVSA-N
MW180.17 g/mol
LogP1.52
Rot. Bonds1

About (4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine

(4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine (PubChem CID 162594716) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine.

Molecular Properties

Compound Name(4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine
PubChem CID162594716
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine
SMILES[H]/N=C1\CN(CC(F)(F)F)C[C@H]1C
InChIInChI=1S/C7H11F3N2/c1-5-2-12(3-6(5)11)4-7(8,9)10/h5,11H,2-4H2,1H3/b11-6+/t5-/m1/s1
InChIKeyLEFAMUWXOHPREO-WXEKBURVSA-N
XLogP1.52
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine?
The IUPAC name of (4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine (CID 162594716) is (4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine.
What is the SMILES notation for (4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine?
The canonical SMILES for (4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine is [H]/N=C1\CN(CC(F)(F)F)C[C@H]1C.
What is the InChIKey of (4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine?
The InChIKey is LEFAMUWXOHPREO-WXEKBURVSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5-2-12(3-6(5)11)4-7(8,9)10/h5,11H,2-4H2,1H3/b11-6+/t5-/m1/s1.
What are the key properties of (4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine?
(4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine has a molecular weight of 180.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-imine is sourced from PubChem (CID 162594716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).