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

C11H20F3NO2 — CID 104749588

IUPACN-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C)C(F)(F)F)C1CCOC1
InChIInChI=1S/C11H20F3NO2/c1-3-15-10(9-4-5-16-6-9)7-17-8(2)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyVRAKORMKPFTCGP-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds6

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

N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 104749588) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID104749588
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C)C(F)(F)F)C1CCOC1
InChIInChI=1S/C11H20F3NO2/c1-3-15-10(9-4-5-16-6-9)7-17-8(2)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyVRAKORMKPFTCGP-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 104749588) is N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CCNC(COC(C)C(F)(F)F)C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is VRAKORMKPFTCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-3-15-10(9-4-5-16-6-9)7-17-8(2)11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 255.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 104749588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).