2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde

C23H16FNO2 — CID 174854967

IUPAC2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)c1c(F)n(C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H16FNO2/c24-23-21(20(27)15-26)18-13-7-8-14-19(18)25(23)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,22H
InChIKeyQQFINQSZGVIJJO-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.80
Rot. Bonds5

About 2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde

2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde (PubChem CID 174854967) has the molecular formula C23H16FNO2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde
PubChem CID174854967
Molecular FormulaC23H16FNO2
Molecular Weight357.38 g/mol
Exact Mass357.12
IUPAC Name2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)c1c(F)n(C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H16FNO2/c24-23-21(20(27)15-26)18-13-7-8-14-19(18)25(23)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,22H
InChIKeyQQFINQSZGVIJJO-UHFFFAOYSA-N
XLogP4.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.80
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'}

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Related Compounds

1-benzhydrylindole-3-carbaldehyde
CID 18973484
1-(4-acetyl-1-benzhydryl-2,5-dimethylpyrrol-3-yl)ethanone
CID 2984760
2-carbazol-9-ylpropanedial
CID 174831236
3-(3-benzoyl-2-methylindol-1-yl)butanal
CID 88732770
9-(1-phenylethyl)carbazole
CID 154375313
methyl 2-methyl-1-[(2R)-1-oxopropan-2-yl]indole-3-carboxylate
CID 142590019
methyl 4-[2-(1-benzhydryl-2-methylindol-3-yl)ethylsulfonyl]benzoate
CID 11706339
2-oxo-2-pentacen-6-ylacetaldehyde
CID 87834317
(2S)-2-(3-oxo-1,2-benzothiazol-2-yl)-2-phenylacetic acid
CID 51342245
2-(3-oxo-1,2-benzothiazol-2-yl)-2-phenylacetic acid
CID 53214357
N-[carbazol-9-yl(methylamino)methyl]hydroxylamine
CID 167289851
1-butyl-2-[(2-cyanoindol-1-yl)-phenylmethyl]indole-3-carboxylic acid
CID 18946972

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde (CID 174854967) is 2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde is O=CC(=O)c1c(F)n(C(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde?
The InChIKey is QQFINQSZGVIJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO2/c24-23-21(20(27)15-26)18-13-7-8-14-19(18)25(23)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,22H.
What are the key properties of 2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde?
2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde has a molecular weight of 357.38 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzhydryl-2-fluoroindol-3-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 174854967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).