N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine

C13H24F3NO2 — CID 55095738

IUPACN-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCNC(CCCOCC(F)(F)F)CC1CCCO1
InChIInChI=1S/C13H24F3NO2/c1-2-17-11(9-12-6-4-8-19-12)5-3-7-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyJVCYWRPODFOVGQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.89
Rot. Bonds9

About N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine

N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine (PubChem CID 55095738) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
PubChem CID55095738
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC NameN-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCNC(CCCOCC(F)(F)F)CC1CCCO1
InChIInChI=1S/C13H24F3NO2/c1-2-17-11(9-12-6-4-8-19-12)5-3-7-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyJVCYWRPODFOVGQ-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.89
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 N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The IUPAC name of N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine (CID 55095738) is N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine is CCNC(CCCOCC(F)(F)F)CC1CCCO1.
What is the InChIKey of N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The InChIKey is JVCYWRPODFOVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-2-17-11(9-12-6-4-8-19-12)5-3-7-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine is sourced from PubChem (CID 55095738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).