3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C11H20F3NO2 — CID 65163642

IUPAC3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESFC(F)(F)COCCNCCCC1CCCO1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-16-8-6-15-5-1-3-10-4-2-7-17-10/h10,15H,1-9H2
InChIKeyNHMUGOMVDSZULM-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds8

About 3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 65163642) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID65163642
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESFC(F)(F)COCCNCCCC1CCCO1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-16-8-6-15-5-1-3-10-4-2-7-17-10/h10,15H,1-9H2
InChIKeyNHMUGOMVDSZULM-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 65163642) is 3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is FC(F)(F)COCCNCCCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is NHMUGOMVDSZULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-16-8-6-15-5-1-3-10-4-2-7-17-10/h10,15H,1-9H2.
What are the key properties of 3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 65163642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).