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

C10H17F3N2O — CID 64891237

IUPAC3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESNC1(CN(CC(F)(F)F)C2CC2)CCOC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)6-15(8-1-2-8)5-9(14)3-4-16-7-9/h8H,1-7,14H2
InChIKeyPEVGJEJZPVXEHK-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.13
Rot. Bonds4

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

3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 64891237) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID64891237
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESNC1(CN(CC(F)(F)F)C2CC2)CCOC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)6-15(8-1-2-8)5-9(14)3-4-16-7-9/h8H,1-7,14H2
InChIKeyPEVGJEJZPVXEHK-UHFFFAOYSA-N
XLogP1.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 64891237) is 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is NC1(CN(CC(F)(F)F)C2CC2)CCOC1.
What is the InChIKey of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is PEVGJEJZPVXEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)6-15(8-1-2-8)5-9(14)3-4-16-7-9/h8H,1-7,14H2.
What are the key properties of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 238.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 64891237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).