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

C11H20F3NO2 — CID 66276627

IUPAC1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
SMILESCC(NCCOC(C)C(F)(F)F)C1CCCO1
InChIInChI=1S/C11H20F3NO2/c1-8(10-4-3-6-17-10)15-5-7-16-9(2)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyKZLKMEWMSJDYHG-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds6

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

1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine (PubChem CID 66276627) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
PubChem CID66276627
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
SMILESCC(NCCOC(C)C(F)(F)F)C1CCCO1
InChIInChI=1S/C11H20F3NO2/c1-8(10-4-3-6-17-10)15-5-7-16-9(2)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyKZLKMEWMSJDYHG-UHFFFAOYSA-N
XLogP2.11
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 ≤ 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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Related Compounds

Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
Methyl(1-(oxolan-2-yl)ethyl)amine
CID 43534145
2-(1,1,1-Trifluoropropan-2-yloxymethyl)pyrrolidine
CID 66274591
2,2,2-trifluoro-N-methyl-1-(oxolan-2-yl)ethanamine
CID 66467485
4,4-Difluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 139417849
Methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium
CID 155624972
2,5-Bis(difluoromethoxymethyl)pyrrolidine
CID 156774172
2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine
CID 163758359
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
2-(2,2-Difluoroethylamino)-2-(oxolan-2-yl)ethanol
CID 169181846
4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 171415811
cis-(1S,2R)-2-(difluoromethoxy)-N-propan-2-ylcyclopentan-1-amine
CID 172108676

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine (CID 66276627) is 1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine is CC(NCCOC(C)C(F)(F)F)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine?
The InChIKey is KZLKMEWMSJDYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(10-4-3-6-17-10)15-5-7-16-9(2)11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine?
1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine is sourced from PubChem (CID 66276627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).