2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde

C20H18FNO2 — CID 91012658

IUPAC2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)cc1F
InChIInChI=1S/C20H18FNO2/c21-17-11-14(4-5-15(17)12-23)13-6-7-18-16(10-13)20(19(24)22-18)8-2-1-3-9-20/h4-7,10-12H,1-3,8-9H2,(H,22,24)
InChIKeyUWFBZDCQXPCYOF-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.46
Rot. Bonds2

About 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde

2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde (PubChem CID 91012658) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde
PubChem CID91012658
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)cc1F
InChIInChI=1S/C20H18FNO2/c21-17-11-14(4-5-15(17)12-23)13-6-7-18-16(10-13)20(19(24)22-18)8-2-1-3-9-20/h4-7,10-12H,1-3,8-9H2,(H,22,24)
InChIKeyUWFBZDCQXPCYOF-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
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 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde (CID 91012658) is 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde is O=Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)cc1F.
What is the InChIKey of 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde?
The InChIKey is UWFBZDCQXPCYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c21-17-11-14(4-5-15(17)12-23)13-6-7-18-16(10-13)20(19(24)22-18)8-2-1-3-9-20/h4-7,10-12H,1-3,8-9H2,(H,22,24).
What are the key properties of 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde?
2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde has a molecular weight of 323.37 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzaldehyde is sourced from PubChem (CID 91012658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).