3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine

C9H17F3N2O — CID 82721638

IUPAC3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)CONCCCN1CCCC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8-15-13-4-3-7-14-5-1-2-6-14/h13H,1-8H2
InChIKeyOYVIPVKCYXEVOL-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.56
Rot. Bonds6

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

3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 82721638) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID82721638
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)CONCCCN1CCCC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8-15-13-4-3-7-14-5-1-2-6-14/h13H,1-8H2
InChIKeyOYVIPVKCYXEVOL-UHFFFAOYSA-N
XLogP1.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine (CID 82721638) is 3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)CONCCCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is OYVIPVKCYXEVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)8-15-13-4-3-7-14-5-1-2-6-14/h13H,1-8H2.
What are the key properties of 3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 226.24 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 82721638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).