N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C7H13F3N2 — CID 43315251

IUPACN-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCNC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c1-11-6-2-3-12(4-6)5-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyUVTWBGPRVADILT-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.84
Rot. Bonds2

About N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 43315251) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID43315251
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC NameN-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCNC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c1-11-6-2-3-12(4-6)5-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyUVTWBGPRVADILT-UHFFFAOYSA-N
XLogP0.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 43315251) is N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CNC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is UVTWBGPRVADILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-11-6-2-3-12(4-6)5-7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 182.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 43315251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).