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

C10H19F3N2O — CID 64891239

IUPAC3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCC(C)N(CC(F)(F)F)CC1(N)CCOC1
InChIInChI=1S/C10H19F3N2O/c1-8(2)15(6-10(11,12)13)5-9(14)3-4-16-7-9/h8H,3-7,14H2,1-2H3
InChIKeyMPBPMIYGMMDEJN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds4

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

3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 64891239) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID64891239
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCC(C)N(CC(F)(F)F)CC1(N)CCOC1
InChIInChI=1S/C10H19F3N2O/c1-8(2)15(6-10(11,12)13)5-9(14)3-4-16-7-9/h8H,3-7,14H2,1-2H3
InChIKeyMPBPMIYGMMDEJN-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 64891239) is 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is CC(C)N(CC(F)(F)F)CC1(N)CCOC1.
What is the InChIKey of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is MPBPMIYGMMDEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8(2)15(6-10(11,12)13)5-9(14)3-4-16-7-9/h8H,3-7,14H2,1-2H3.
What are the key properties of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 64891239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).