N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine

C11H17F6NO2 — CID 102721969

IUPACN-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine
SMILESCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCOC1
InChIInChI=1S/C11H17F6NO2/c1-2-18-8(7-3-4-19-5-7)6-20-9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyOWCVHNCYQGSVKJ-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.51
Rot. Bonds6

About N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine

N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine (PubChem CID 102721969) has the molecular formula C11H17F6NO2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine
PubChem CID102721969
Molecular FormulaC11H17F6NO2
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC NameN-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine
SMILESCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCOC1
InChIInChI=1S/C11H17F6NO2/c1-2-18-8(7-3-4-19-5-7)6-20-9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyOWCVHNCYQGSVKJ-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine (CID 102721969) is N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine is CCNC(COC(C(F)(F)F)C(F)(F)F)C1CCOC1.
What is the InChIKey of N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine?
The InChIKey is OWCVHNCYQGSVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2/c1-2-18-8(7-3-4-19-5-7)6-20-9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3.
What are the key properties of N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine has a molecular weight of 309.25 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 102721969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).