5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one

C20H20FNO — CID 70000021

IUPAC5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCc1c(F)cccc1-c1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C20H20FNO/c1-13-15(6-5-7-17(13)21)14-8-9-18-16(12-14)20(19(23)22-18)10-3-2-4-11-20/h5-9,12H,2-4,10-11H2,1H3,(H,22,23)
InChIKeyLYBOAAPTWPUVGC-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.96
Rot. Bonds1

About 5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one

5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 70000021) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID70000021
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCc1c(F)cccc1-c1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C20H20FNO/c1-13-15(6-5-7-17(13)21)14-8-9-18-16(12-14)20(19(23)22-18)10-3-2-4-11-20/h5-9,12H,2-4,10-11H2,1H3,(H,22,23)
InChIKeyLYBOAAPTWPUVGC-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one (CID 70000021) is 5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one is Cc1c(F)cccc1-c1ccc2c(c1)C1(CCCCC1)C(=O)N2.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is LYBOAAPTWPUVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c1-13-15(6-5-7-17(13)21)14-8-9-18-16(12-14)20(19(23)22-18)10-3-2-4-11-20/h5-9,12H,2-4,10-11H2,1H3,(H,22,23).
What are the key properties of 5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one?
5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 309.38 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methylphenyl)spiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 70000021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).