2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H16F3NO2 — CID 63556934

IUPAC2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OC1CCOC1
InChIInChI=1S/C9H16F3NO2/c1-7(4-13-6-9(10,11)12)15-8-2-3-14-5-8/h7-8,13H,2-6H2,1H3
InChIKeyNOEOSKCLOJLRCQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.33
Rot. Bonds5

About 2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 63556934) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID63556934
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OC1CCOC1
InChIInChI=1S/C9H16F3NO2/c1-7(4-13-6-9(10,11)12)15-8-2-3-14-5-8/h7-8,13H,2-6H2,1H3
InChIKeyNOEOSKCLOJLRCQ-UHFFFAOYSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 63556934) is 2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)OC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is NOEOSKCLOJLRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(4-13-6-9(10,11)12)15-8-2-3-14-5-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 227.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 63556934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).