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

C12H21F3N2O — CID 115335791

IUPAC2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine
SMILESCC1OCCC1NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-9-11(3-5-18-9)16-6-10-2-4-17(7-10)8-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyCNLKLSGMPZPTEU-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.64
Rot. Bonds4

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

2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine (PubChem CID 115335791) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine
PubChem CID115335791
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine
SMILESCC1OCCC1NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-9-11(3-5-18-9)16-6-10-2-4-17(7-10)8-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyCNLKLSGMPZPTEU-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine (CID 115335791) is 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine is CC1OCCC1NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
The InChIKey is CNLKLSGMPZPTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9-11(3-5-18-9)16-6-10-2-4-17(7-10)8-12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine?
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine has a molecular weight of 266.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 115335791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).