N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine

C14H22F3NO2 — CID 106706218

IUPACN-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCC1(CNC2CC2)CCOC1C1CC1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)9-19-8-13(7-18-11-3-4-11)5-6-20-12(13)10-1-2-10/h10-12,18H,1-9H2
InChIKeyQSUMNVWWZZHGSD-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.50
Rot. Bonds7

About N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 106706218) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID106706218
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCC1(CNC2CC2)CCOC1C1CC1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)9-19-8-13(7-18-11-3-4-11)5-6-20-12(13)10-1-2-10/h10-12,18H,1-9H2
InChIKeyQSUMNVWWZZHGSD-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 106706218) is N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine is FC(F)(F)COCC1(CNC2CC2)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is QSUMNVWWZZHGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)9-19-8-13(7-18-11-3-4-11)5-6-20-12(13)10-1-2-10/h10-12,18H,1-9H2.
What are the key properties of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 293.33 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106706218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).