4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one

C13H15FN2O — CID 84627749

IUPAC4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESNC1CCC2(CC1)C(=O)Nc1cc(F)ccc12
InChIInChI=1S/C13H15FN2O/c14-8-1-2-10-11(7-8)16-12(17)13(10)5-3-9(15)4-6-13/h1-2,7,9H,3-6,15H2,(H,16,17)
InChIKeyVNOLFBGERFTLME-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.92
Rot. Bonds

About 4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one

4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 84627749) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID84627749
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESNC1CCC2(CC1)C(=O)Nc1cc(F)ccc12
InChIInChI=1S/C13H15FN2O/c14-8-1-2-10-11(7-8)16-12(17)13(10)5-3-9(15)4-6-13/h1-2,7,9H,3-6,15H2,(H,16,17)
InChIKeyVNOLFBGERFTLME-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 72698788
6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 67232508
6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 69159711
(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130731291
3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130059248
6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 66958239
6-aminospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 135393443
5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 164588624
4',4'-difluoro-6-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 70960495
2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde
CID 90105604
5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 83820003
(3R)-5-fluorospiro[1H-indole-3,3'-oxolane]-2-one
CID 124681361

Frequently Asked Questions

What is the IUPAC name of 4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one (CID 84627749) is 4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one is NC1CCC2(CC1)C(=O)Nc1cc(F)ccc12.
What is the InChIKey of 4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is VNOLFBGERFTLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-8-1-2-10-11(7-8)16-12(17)13(10)5-3-9(15)4-6-13/h1-2,7,9H,3-6,15H2,(H,16,17).
What are the key properties of 4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 234.27 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 84627749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).