1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C10H19F3N2 — CID 58365066

IUPAC1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCC(C)(C)N1CCC(NCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-9(2,3)15-5-4-8(6-15)14-7-10(11,12)13/h8,14H,4-7H2,1-3H3
InChIKeyHVNWHAMOEFUUGJ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.01
Rot. Bonds2

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

1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 58365066) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID58365066
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCC(C)(C)N1CCC(NCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-9(2,3)15-5-4-8(6-15)14-7-10(11,12)13/h8,14H,4-7H2,1-3H3
InChIKeyHVNWHAMOEFUUGJ-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 58365066) is 1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CC(C)(C)N1CCC(NCC(F)(F)F)C1.
What is the InChIKey of 1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is HVNWHAMOEFUUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-9(2,3)15-5-4-8(6-15)14-7-10(11,12)13/h8,14H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 224.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 58365066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).