2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde

C6H10F3NO2 — CID 107481343

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde
SMILESO=CCN(CCO)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5-10(1-3-11)2-4-12/h3,12H,1-2,4-5H2
InChIKeyMCTQKWNVHOEHKK-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.04
Rot. Bonds5

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde (PubChem CID 107481343) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde
PubChem CID107481343
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde
SMILESO=CCN(CCO)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5-10(1-3-11)2-4-12/h3,12H,1-2,4-5H2
InChIKeyMCTQKWNVHOEHKK-UHFFFAOYSA-N
XLogP0.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.04
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

N,N-bis(2-hydroxyethyl)amino-acetaldehyde
CID 17770113
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258931
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]acetic acid
CID 107480780
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]propanal
CID 107481167
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]acetaldehyde
CID 107481231
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal
CID 107481282
2-[Ethyl(2-hydroxyethyl)amino]acetaldehyde
CID 23554328
2-[2-Hydroxyethyl(methyl)amino]acetaldehyde
CID 53869158
2-[2-Hydroxyethyl(2-oxoethyl)amino]acetaldehyde
CID 68487858
2-Hydroxyethyl-dimethyl-(2-oxoethyl)azanium
CID 88593776

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde (CID 107481343) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde is O=CCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde?
The InChIKey is MCTQKWNVHOEHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)5-10(1-3-11)2-4-12/h3,12H,1-2,4-5H2.
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde has a molecular weight of 185.14 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetaldehyde is sourced from PubChem (CID 107481343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).