2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde

C10H12FNO — CID 22016549

IUPAC2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde
SMILESCN(C)C(C=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-12(2)10(7-13)8-3-5-9(11)6-4-8/h3-7,10H,1-2H3
InChIKeyQZZYYFFFVWXSHY-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.63
Rot. Bonds3

About 2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde

2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde (PubChem CID 22016549) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde
PubChem CID22016549
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde
SMILESCN(C)C(C=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-12(2)10(7-13)8-3-5-9(11)6-4-8/h3-7,10H,1-2H3
InChIKeyQZZYYFFFVWXSHY-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.63
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

2-(3-Fluorophenyl)-2-(methylamino)acetamide
CID 47003263
2-(Dibenzylamino)-3-phenylpropanal
CID 563896
(alphaS)-alpha-[Bis(phenylmethyl)amino]benzenepropanal
CID 9883943
1-(Methylamino)-1-phenylbutan-2-one
CID 149821046
2-(Dimethylamino)-2-phenylacetamide
CID 200036
1-(Methylamino)-1-phenylpropan-2-one
CID 436483
(2S)-2-(dibenzylamino)-2-phenylacetaldehyde
CID 10757730
(2R)-2-(dibenzylamino)-3-phenylpropanal
CID 10914478
(2S)-2-(dibenzylamino)-4-methylpentanal
CID 11119995
1-(Dimethylamino)-1-phenylpropan-2-one
CID 13861525
(2R)-2-(dibenzylamino)-4-methylpentanal
CID 13949607
(2R)-1-((1S)-1-Phenylethyl)-2-aziridinecarboxaldehyde
CID 15286353

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde?
The IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde (CID 22016549) is 2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde?
The canonical SMILES for 2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde is CN(C)C(C=O)c1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde?
The InChIKey is QZZYYFFFVWXSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12(2)10(7-13)8-3-5-9(11)6-4-8/h3-7,10H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde?
2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde has a molecular weight of 181.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde is sourced from PubChem (CID 22016549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).