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

C9H17F3N2O — CID 64894037

IUPAC3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCCN(CC(F)(F)F)CC1(N)CCOC1
InChIInChI=1S/C9H17F3N2O/c1-2-14(6-9(10,11)12)5-8(13)3-4-15-7-8/h2-7,13H2,1H3
InChIKeyGQRGFXAKNYQBHZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.99
Rot. Bonds4

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

3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 64894037) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID64894037
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCCN(CC(F)(F)F)CC1(N)CCOC1
InChIInChI=1S/C9H17F3N2O/c1-2-14(6-9(10,11)12)5-8(13)3-4-15-7-8/h2-7,13H2,1H3
InChIKeyGQRGFXAKNYQBHZ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 64894037) is 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is CCN(CC(F)(F)F)CC1(N)CCOC1.
What is the InChIKey of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is GQRGFXAKNYQBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-2-14(6-9(10,11)12)5-8(13)3-4-15-7-8/h2-7,13H2,1H3.
What are the key properties of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 226.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 64894037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).