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

C9H16F3NO2 — CID 107486445

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2,7-15)5-13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyCTQQLSUESPSMNF-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.07
Rot. Bonds6

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

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal (PubChem CID 107486445) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
PubChem CID107486445
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2,7-15)5-13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyCTQQLSUESPSMNF-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal (CID 107486445) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal is CC(C)(C=O)CN(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
The InChIKey is CTQQLSUESPSMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-8(2,7-15)5-13(3-4-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal has a molecular weight of 227.23 g/mol, XLogP of 1.07, 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]-2,2-dimethylpropanal is sourced from PubChem (CID 107486445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).