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

C8H15F3N2 — CID 166167059

IUPAC1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCN1CCC(C)(NCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-7(3-4-13(2)6-7)12-5-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyMHBMFPRMMIBYFM-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.23
Rot. Bonds2

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

1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 166167059) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID166167059
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCN1CCC(C)(NCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-7(3-4-13(2)6-7)12-5-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyMHBMFPRMMIBYFM-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 166167059) is 1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CN1CCC(C)(NCC(F)(F)F)C1.
What is the InChIKey of 1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is MHBMFPRMMIBYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7(3-4-13(2)6-7)12-5-8(9,10)11/h12H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 196.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 166167059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).