2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde

C11H13ClFNO — CID 116908742

IUPAC2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde
SMILESCc1cc(Cl)c(C(C=O)N(C)C)cc1F
InChIInChI=1S/C11H13ClFNO/c1-7-4-9(12)8(5-10(7)13)11(6-15)14(2)3/h4-6,11H,1-3H3
InChIKeyCAKQQUXQPUXZSF-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.59
Rot. Bonds3

About 2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde

2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde (PubChem CID 116908742) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde
PubChem CID116908742
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde
SMILESCc1cc(Cl)c(C(C=O)N(C)C)cc1F
InChIInChI=1S/C11H13ClFNO/c1-7-4-9(12)8(5-10(7)13)11(6-15)14(2)3/h4-6,11H,1-3H3
InChIKeyCAKQQUXQPUXZSF-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.59
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-chloro-5-fluoro-4-methylphenyl)-(dimethylamino)methanethiol
CID 116909507
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetaldehyde
CID 123528340
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
2-[(2-chloro-5-fluoro-4-methylphenyl)-(dimethylamino)methyl]butanenitrile
CID 116913770
N-(2-chloro-5-fluoro-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166166
3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide
CID 116850996
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde
CID 116908705
2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide
CID 116849471

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde?
The IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde (CID 116908742) is 2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde.
What is the SMILES notation for 2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde?
The canonical SMILES for 2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde is Cc1cc(Cl)c(C(C=O)N(C)C)cc1F.
What is the InChIKey of 2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde?
The InChIKey is CAKQQUXQPUXZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-7-4-9(12)8(5-10(7)13)11(6-15)14(2)3/h4-6,11H,1-3H3.
What are the key properties of 2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde?
2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde has a molecular weight of 229.68 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoro-4-methylphenyl)-2-(dimethylamino)acetaldehyde is sourced from PubChem (CID 116908742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).