N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine

C12H23F3N2O — CID 55055941

IUPACN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine
SMILESCCNCC1(CN(CC)CC(F)(F)F)CCOC1
InChIInChI=1S/C12H23F3N2O/c1-3-16-7-11(5-6-18-10-11)8-17(4-2)9-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyXITYZLQZXRKADP-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds7

About N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine

N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine (PubChem CID 55055941) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine
PubChem CID55055941
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine
SMILESCCNCC1(CN(CC)CC(F)(F)F)CCOC1
InChIInChI=1S/C12H23F3N2O/c1-3-16-7-11(5-6-18-10-11)8-17(4-2)9-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyXITYZLQZXRKADP-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine (CID 55055941) is N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine is CCNCC1(CN(CC)CC(F)(F)F)CCOC1.
What is the InChIKey of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine?
The InChIKey is XITYZLQZXRKADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-16-7-11(5-6-18-10-11)8-17(4-2)9-12(13,14)15/h16H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine?
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 55055941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).