N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine

C11H19F3N2O — CID 55201545

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine
SMILESFC(F)(F)CN1CCC(CNC2CCOC2)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16-3-1-9(6-16)5-15-10-2-4-17-7-10/h9-10,15H,1-8H2
InChIKeyLSRKJBMCBUKHPJ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.25
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine (PubChem CID 55201545) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine
PubChem CID55201545
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine
SMILESFC(F)(F)CN1CCC(CNC2CCOC2)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16-3-1-9(6-16)5-15-10-2-4-17-7-10/h9-10,15H,1-8H2
InChIKeyLSRKJBMCBUKHPJ-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine (CID 55201545) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine is FC(F)(F)CN1CCC(CNC2CCOC2)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
The InChIKey is LSRKJBMCBUKHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-16-3-1-9(6-16)5-15-10-2-4-17-7-10/h9-10,15H,1-8H2.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine has a molecular weight of 252.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 55201545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).