1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine

C8H15F3N2 — CID 71632965

IUPAC1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
SMILESCC(C)N1CCC(NC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-6(2)13-4-3-7(5-13)12-8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyUJLYFPPSDRYHOC-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.58
Rot. Bonds2

About 1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine

1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 71632965) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID71632965
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
SMILESCC(C)N1CCC(NC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-6(2)13-4-3-7(5-13)12-8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyUJLYFPPSDRYHOC-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of 1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine (CID 71632965) is 1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine is CC(C)N1CCC(NC(F)(F)F)C1.
What is the InChIKey of 1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is UJLYFPPSDRYHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-6(2)13-4-3-7(5-13)12-8(9,10)11/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine?
1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 196.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71632965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).