3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal

C7H12F3NO2 — CID 107481282

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal
SMILESO=CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)6-11(3-5-13)2-1-4-12/h4,13H,1-3,5-6H2
InChIKeyDQLWSFGACMVLIX-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.43
Rot. Bonds6

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal (PubChem CID 107481282) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal
PubChem CID107481282
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal
SMILESO=CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)6-11(3-5-13)2-1-4-12/h4,13H,1-3,5-6H2
InChIKeyDQLWSFGACMVLIX-UHFFFAOYSA-N
XLogP0.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]propanal
CID 107481167
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]acetaldehyde
CID 107481231
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde
CID 107481343
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal
CID 107486404
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
CID 107486445
3-[Ethyl(2-hydroxyethyl)amino]propanal
CID 63040729
3-[2-Hydroxyethyl(methyl)amino]propanal
CID 63040730
3-[Bis(2-hydroxyethyl)amino]propanal
CID 63040917
2-Hydroxyethyl-dimethyl-(3-oxopropyl)azanium
CID 117910934

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal (CID 107481282) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal is O=CCCN(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal?
The InChIKey is DQLWSFGACMVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c8-7(9,10)6-11(3-5-13)2-1-4-12/h4,13H,1-3,5-6H2.
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal has a molecular weight of 199.17 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal is sourced from PubChem (CID 107481282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).