4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde

C10H16F3NO2 — CID 62390393

IUPAC4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
SMILESCN(CC(F)(F)F)CC1(C=O)CCOCC1
InChIInChI=1S/C10H16F3NO2/c1-14(7-10(11,12)13)6-9(8-15)2-4-16-5-3-9/h8H,2-7H2,1H3
InChIKeyWSAMSFFCOCTLFC-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.48
Rot. Bonds4

About 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde

4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde (PubChem CID 62390393) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
PubChem CID62390393
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
SMILESCN(CC(F)(F)F)CC1(C=O)CCOCC1
InChIInChI=1S/C10H16F3NO2/c1-14(7-10(11,12)13)6-9(8-15)2-4-16-5-3-9/h8H,2-7H2,1H3
InChIKeyWSAMSFFCOCTLFC-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde 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 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde (CID 62390393) is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde is CN(CC(F)(F)F)CC1(C=O)CCOCC1.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde?
The InChIKey is WSAMSFFCOCTLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14(7-10(11,12)13)6-9(8-15)2-4-16-5-3-9/h8H,2-7H2,1H3.
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde?
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde has a molecular weight of 239.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 62390393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).