2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde

C10H5F4NO2 — CID 174615814

IUPAC2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde
SMILESO=CC(=O)C1(F)c2ccccc2C(F)(F)N1F
InChIInChI=1S/C10H5F4NO2/c11-9(8(17)5-16)6-3-1-2-4-7(6)10(12,13)15(9)14/h1-5H
InChIKeyZXYQVUVKSNKATA-UHFFFAOYSA-N
MW247.15 g/mol
LogP1.83
Rot. Bonds2

About 2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde

2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde (PubChem CID 174615814) has the molecular formula C10H5F4NO2 and a molecular weight of 247.15 g/mol. Its IUPAC name is 2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde
PubChem CID174615814
Molecular FormulaC10H5F4NO2
Molecular Weight247.15 g/mol
Exact Mass247.03
IUPAC Name2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde
SMILESO=CC(=O)C1(F)c2ccccc2C(F)(F)N1F
InChIInChI=1S/C10H5F4NO2/c11-9(8(17)5-16)6-3-1-2-4-7(6)10(12,13)15(9)14/h1-5H
InChIKeyZXYQVUVKSNKATA-UHFFFAOYSA-N
XLogP1.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(1-fluoro-2,3-dihydroinden-1-yl)-2-oxoacetaldehyde
CID 174848722
1-(2-iodophenyl)cyclobutane-1-carboxylic acid
CID 86712326
1,1'-biphenyl;oxaldehydic acid
CID 23024065
1,3,3-trifluoroindol-2-one
CID 154502193
2-(3,3-difluoro-2,2-dihydroxynaphthalen-1-yl)-2-oxoacetaldehyde
CID 175145490
1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 59680954
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
8-fluoropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-1-sulfinic acid
CID 177465953
2-[1-(2-methylphenyl)cyclobutyl]acetic acid
CID 83687028
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
dimethyl tetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-1,8-dicarboxylate
CID 102099332
N-[1-(2-fluorophenyl)cyclobutyl]pyrrolidine-1-carboxamide
CID 110469855

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde?
The IUPAC name of 2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde (CID 174615814) is 2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde.
What is the SMILES notation for 2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde?
The canonical SMILES for 2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde is O=CC(=O)C1(F)c2ccccc2C(F)(F)N1F.
What is the InChIKey of 2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde?
The InChIKey is ZXYQVUVKSNKATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO2/c11-9(8(17)5-16)6-3-1-2-4-7(6)10(12,13)15(9)14/h1-5H.
What are the key properties of 2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde?
2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde has a molecular weight of 247.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(1,2,3,3-tetrafluoroisoindol-1-yl)acetaldehyde is sourced from PubChem (CID 174615814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).