1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C9H16F3NO2 — CID 103215269

IUPAC1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-5-8(13)7-1-3-14-4-2-7/h7-8H,1-6,13H2
InChIKeyJNNGZTCEHMUEFW-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.32
Rot. Bonds4

About 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215269) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215269
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-5-8(13)7-1-3-14-4-2-7/h7-8H,1-6,13H2
InChIKeyJNNGZTCEHMUEFW-UHFFFAOYSA-N
XLogP1.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215449
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935479
1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148093
[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217487
2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine
CID 105147172
1-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 104748992
1-(oxan-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474954
1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine
CID 104749713
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55132371
1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475216
1-(oxan-4-yl)propane-1,3-diamine
CID 116932858

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215269) is 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is JNNGZTCEHMUEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)6-15-5-8(13)7-1-3-14-4-2-7/h7-8H,1-6,13H2.
What are the key properties of 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 227.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).