4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

C9H17F3N2O — CID 66236322

IUPAC4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCCN(CC1COCC1N)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-2-14(6-9(10,11)12)3-7-4-15-5-8(7)13/h7-8H,2-6,13H2,1H3
InChIKeyXDXOZZTWLROVND-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.84
Rot. Bonds4

About 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 66236322) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID66236322
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCCN(CC1COCC1N)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-2-14(6-9(10,11)12)3-7-4-15-5-8(7)13/h7-8H,2-6,13H2,1H3
InChIKeyXDXOZZTWLROVND-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylaminomethyl)oxan-4-amine
CID 83619174
2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486880
4-[(dimethylamino)methyl]oxolan-3-amine
CID 66237318
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66258382
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 62609558
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
CID 154842546
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855353
4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 63494955
4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine
CID 66236915
2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189582
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62426631
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
CID 66235507

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 66236322) is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is CCN(CC1COCC1N)CC(F)(F)F.
What is the InChIKey of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is XDXOZZTWLROVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-2-14(6-9(10,11)12)3-7-4-15-5-8(7)13/h7-8H,2-6,13H2,1H3.
What are the key properties of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 226.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66236322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).