N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C9H15F3N2O — CID 82853062

IUPACN-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESFC(F)(F)CONC1CCN2CCCC12
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)6-15-13-7-3-5-14-4-1-2-8(7)14/h7-8,13H,1-6H2
InChIKeySMXPNFJZSWZFLR-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.31
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853062) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853062
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESFC(F)(F)CONC1CCN2CCCC12
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)6-15-13-7-3-5-14-4-1-2-8(7)14/h7-8,13H,1-6H2
InChIKeySMXPNFJZSWZFLR-UHFFFAOYSA-N
XLogP1.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853062) is N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is FC(F)(F)CONC1CCN2CCCC12.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is SMXPNFJZSWZFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)6-15-13-7-3-5-14-4-1-2-8(7)14/h7-8,13H,1-6H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 224.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).