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

C10H18F3NO2 — CID 61490716

IUPAC1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)C1CCCO1
InChIInChI=1S/C10H18F3NO2/c1-8(9-3-2-5-16-9)14-4-6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyJVLHJUJRDNKQTF-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds6

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

1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 61490716) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID61490716
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)C1CCCO1
InChIInChI=1S/C10H18F3NO2/c1-8(9-3-2-5-16-9)14-4-6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyJVLHJUJRDNKQTF-UHFFFAOYSA-N
XLogP1.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
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-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 61490716) is 1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is CC(NCCOCC(F)(F)F)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is JVLHJUJRDNKQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8(9-3-2-5-16-9)14-4-6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(oxolan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 241.25 g/mol, XLogP of 1.72, 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-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 61490716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).