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

C10H19F3N2O — CID 66236524

IUPAC4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCCCN(CC1COCC1N)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-2-3-15(7-10(11,12)13)4-8-5-16-6-9(8)14/h8-9H,2-7,14H2,1H3
InChIKeyIYFVMZFKFSIMQD-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.23
Rot. Bonds5

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

4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 66236524) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID66236524
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCCCN(CC1COCC1N)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-2-3-15(7-10(11,12)13)4-8-5-16-6-9(8)14/h8-9H,2-7,14H2,1H3
InChIKeyIYFVMZFKFSIMQD-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 66236524) is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is CCCN(CC1COCC1N)CC(F)(F)F.
What is the InChIKey of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is IYFVMZFKFSIMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-2-3-15(7-10(11,12)13)4-8-5-16-6-9(8)14/h8-9H,2-7,14H2,1H3.
What are the key properties of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66236524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).