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

C10H12FNO — CID 23387275

IUPAC(2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde
SMILESCN(C)[C@H](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/t10-/m1/s1
InChIKeyQZZYYFFFVWXSHY-SNVBAGLBSA-N
MW181.21 g/mol
LogP1.63
Rot. Bonds3

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

(2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde (PubChem CID 23387275) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde
PubChem CID23387275
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde
SMILESCN(C)[C@H](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/t10-/m1/s1
InChIKeyQZZYYFFFVWXSHY-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde?
The IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde (CID 23387275) is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde is CN(C)[C@H](C=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde?
The InChIKey is QZZYYFFFVWXSHY-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde?
(2S)-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 (2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetaldehyde is sourced from PubChem (CID 23387275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).