1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C9H16F3NO2 — CID 104749589

IUPAC1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OCC(N)C1CCOC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(9(10,11)12)15-5-8(13)7-2-3-14-4-7/h6-8H,2-5,13H2,1H3
InChIKeyUQTISDRUWKCJPO-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.32
Rot. Bonds4

About 1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 104749589) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID104749589
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OCC(N)C1CCOC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(9(10,11)12)15-5-8(13)7-2-3-14-4-7/h6-8H,2-5,13H2,1H3
InChIKeyUQTISDRUWKCJPO-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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine
CID 105147172
1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148093
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
1-(oxolan-3-yl)butan-1-amine
CID 63564938
3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
CID 103311932
2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 107664229
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 104749589) is 1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CC(OCC(N)C1CCOC1)C(F)(F)F.
What is the InChIKey of 1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is UQTISDRUWKCJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6(9(10,11)12)15-5-8(13)7-2-3-14-4-7/h6-8H,2-5,13H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)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-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 104749589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).