3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde

C10H16F3NO3 — CID 107486422

IUPAC3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN(CCO)CC(F)(F)F)CCOC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)6-14(2-3-15)5-9(7-16)1-4-17-8-9/h7,15H,1-6,8H2
InChIKeyIKALDXWFTHIFQL-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.45
Rot. Bonds6

About 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde

3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 107486422) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID107486422
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN(CCO)CC(F)(F)F)CCOC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)6-14(2-3-15)5-9(7-16)1-4-17-8-9/h7,15H,1-6,8H2
InChIKeyIKALDXWFTHIFQL-UHFFFAOYSA-N
XLogP0.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[bis(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391102
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277416
4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
CID 107486398
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486899
3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde
CID 62277191
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 62390393
3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]oxane-3-carbaldehyde
CID 63742041
3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276558
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62271115
3-[[propan-2-yl(propyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276953
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
CID 55051211
3-[(4-fluoro-N-methylanilino)methyl]oxolane-3-carbaldehyde
CID 55050591

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde (CID 107486422) is 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde is O=CC1(CN(CCO)CC(F)(F)F)CCOC1.
What is the InChIKey of 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is IKALDXWFTHIFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)6-14(2-3-15)5-9(7-16)1-4-17-8-9/h7,15H,1-6,8H2.
What are the key properties of 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde?
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 255.24 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 107486422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).