2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde

C11H11F2NO3 — CID 88954051

IUPAC2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde
SMILESCC(=O)c1ccc(OC(F)F)c(NCC=O)c1
InChIInChI=1S/C11H11F2NO3/c1-7(16)8-2-3-10(17-11(12)13)9(6-8)14-4-5-15/h2-3,5-6,11,14H,4H2,1H3
InChIKeyQWXBXWPPFILMQF-UHFFFAOYSA-N
MW243.21 g/mol
LogP2.10
Rot. Bonds6

About 2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde

2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde (PubChem CID 88954051) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde.

Molecular Properties

Compound Name2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde
PubChem CID88954051
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde
SMILESCC(=O)c1ccc(OC(F)F)c(NCC=O)c1
InChIInChI=1S/C11H11F2NO3/c1-7(16)8-2-3-10(17-11(12)13)9(6-8)14-4-5-15/h2-3,5-6,11,14H,4H2,1H3
InChIKeyQWXBXWPPFILMQF-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
CID 170996131
1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone
CID 170997927
1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
CID 167736306
1-(4-acetylphenyl)-3-[2-(difluoromethoxy)phenyl]thiourea
CID 17284899
N-(5-acetyl-2-propan-2-yloxyphenyl)-2-methylpropanamide
CID 82156387
methyl 3-(difluoromethoxy)-4-(3-oxopropyl)benzoate
CID 134649793
3-[3,4-bis(difluoromethoxy)phenyl]but-2-enoic acid
CID 66604449
4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
CID 7941418
4-acetyl-2-(difluoromethoxy)-6-methylbenzaldehyde
CID 171032070
4-(difluoromethoxy)-3-(2-oxopropyl)benzaldehyde
CID 118801726
dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate
CID 173255270
4-(difluoromethoxy)-3-formylbenzoic acid
CID 126827729

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde?
The IUPAC name of 2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde (CID 88954051) is 2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde.
What is the SMILES notation for 2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde?
The canonical SMILES for 2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde is CC(=O)c1ccc(OC(F)F)c(NCC=O)c1.
What is the InChIKey of 2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde?
The InChIKey is QWXBXWPPFILMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-7(16)8-2-3-10(17-11(12)13)9(6-8)14-4-5-15/h2-3,5-6,11,14H,4H2,1H3.
What are the key properties of 2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde?
2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde has a molecular weight of 243.21 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde is sourced from PubChem (CID 88954051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).