1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine

C13H23F3N2O — CID 55065983

IUPAC1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
SMILESFC(F)(F)CN1CCC(CNCC2CCOCC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-4-1-12(9-18)8-17-7-11-2-5-19-6-3-11/h11-12,17H,1-10H2
InChIKeyQIYJDDBBVCVRKD-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds5

About 1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine

1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine (PubChem CID 55065983) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
PubChem CID55065983
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
SMILESFC(F)(F)CN1CCC(CNCC2CCOCC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-4-1-12(9-18)8-17-7-11-2-5-19-6-3-11/h11-12,17H,1-10H2
InChIKeyQIYJDDBBVCVRKD-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine?
The IUPAC name of 1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine (CID 55065983) is 1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine is FC(F)(F)CN1CCC(CNCC2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine?
The InChIKey is QIYJDDBBVCVRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-18-4-1-12(9-18)8-17-7-11-2-5-19-6-3-11/h11-12,17H,1-10H2.
What are the key properties of 1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine?
1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine has a molecular weight of 280.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine is sourced from PubChem (CID 55065983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).