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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Related Compounds

(E)-5-(3-Fluorostyryl)isatin
CID 44575104
(3Z)-5-methyl-3-(2-methylbenzylidene)-1,3-dihydro-2H-indol-2-one
CID 5876476
3,3-bis(4-aminophenyl)-1H-indol-2-one
CID 2894099
5-(4-Phenylbutyl)Isatin
CID 50994176
(3Z)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-1H-indol-2-one
CID 682363
N-[4-[3-(4-acetamidophenyl)-2-oxo-1H-indol-3-yl]phenyl]acetamide
CID 2893820
3-(1',2'-Dihydro-2'-oxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile
CID 9817870
3-(1',2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile
CID 22019349
4-methyl-3-(2-oxospiro[1H-indole-3,1'-cyclopentane]-6-yl)benzamide
CID 44251293
N-tert-butyl-4-methyl-3-(2-oxospiro[1H-indole-3,1'-cyclopentane]-6-yl)benzamide
CID 44251297
(3Z)-3-(2-fluorobenzylidene)-5-methyl-1,3-dihydro-2H-indol-2-one
CID 6260424
(3Z)-3-benzylidene-5-methyl-1,3-dihydro-2H-indol-2-one
CID 6260426

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).