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

C6H10F3NO — CID 63039019

IUPAC3-[methyl(2,2,2-trifluoroethyl)amino]propanal
SMILESCN(CCC=O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10(3-2-4-11)5-6(7,8)9/h4H,2-3,5H2,1H3
InChIKeyCNHMBXWKAHJADY-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.07
Rot. Bonds4

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

3-[methyl(2,2,2-trifluoroethyl)amino]propanal (PubChem CID 63039019) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)amino]propanal.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)amino]propanal
PubChem CID63039019
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)amino]propanal
SMILESCN(CCC=O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10(3-2-4-11)5-6(7,8)9/h4H,2-3,5H2,1H3
InChIKeyCNHMBXWKAHJADY-UHFFFAOYSA-N
XLogP1.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[methyl(2,2,2-trifluoroethyl)amino]propanal?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]propanal (CID 63039019) is 3-[methyl(2,2,2-trifluoroethyl)amino]propanal.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)amino]propanal?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)amino]propanal is CN(CCC=O)CC(F)(F)F.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)amino]propanal?
The InChIKey is CNHMBXWKAHJADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10(3-2-4-11)5-6(7,8)9/h4H,2-3,5H2,1H3.
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)amino]propanal?
3-[methyl(2,2,2-trifluoroethyl)amino]propanal has a molecular weight of 169.15 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)amino]propanal is sourced from PubChem (CID 63039019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).