2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde

C11H12F3NO — CID 123798524

IUPAC2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde
SMILESCN(C)C(C=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-15(2)10(7-16)8-5-3-4-6-9(8)11(12,13)14/h3-7,10H,1-2H3
InChIKeyJLIWFZTVOQALPJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.51
Rot. Bonds3

About 2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde

2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde (PubChem CID 123798524) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde
PubChem CID123798524
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde
SMILESCN(C)C(C=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-15(2)10(7-16)8-5-3-4-6-9(8)11(12,13)14/h3-7,10H,1-2H3
InChIKeyJLIWFZTVOQALPJ-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Dimethylamino)-1-phenylpropan-2-one
CID 13861525
2-Phenyl-2-piperidin-1-ylacetaldehyde
CID 24977472
(2S)-2-(dimethylamino)-3-phenylpropanal
CID 54427864
1-(Dimethylamino)-1-phenylbutan-2-one
CID 57164436
2-Amino-3-[2-(trifluoromethyl)phenyl]propanal
CID 18949719
2-[5-Fluoro-2-(methylaminomethyl)phenyl]acetaldehyde
CID 21182088
2-[Fluoro(methyl)amino]-3-phenylpropanal
CID 21660498
2-(Dimethylamino)-2-(4-fluorophenyl)acetaldehyde
CID 22016549
2-(Dimethylamino)-2-(2-fluorophenyl)acetaldehyde
CID 22016551
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde
CID 23387275
1-(Dimethylamino)-1-(2-fluorophenyl)butan-2-one
CID 54258845
(2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal
CID 54351964

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde?
The IUPAC name of 2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde (CID 123798524) is 2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde is CN(C)C(C=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde?
The InChIKey is JLIWFZTVOQALPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-15(2)10(7-16)8-5-3-4-6-9(8)11(12,13)14/h3-7,10H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde?
2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde has a molecular weight of 231.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-[2-(trifluoromethyl)phenyl]acetaldehyde is sourced from PubChem (CID 123798524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).