6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one

C22H16FNO2 — CID 14616674

IUPAC6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1C21C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C22H16FNO2/c1-12-3-6-16-19(9-12)26-20-10-13(2)4-7-17(20)22(16)15-8-5-14(23)11-18(15)24-21(22)25/h3-11H,1-2H3,(H,24,25)
InChIKeyMCIHWAGCJOJIBD-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.83
Rot. Bonds

About 6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one

6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one (PubChem CID 14616674) has the molecular formula C22H16FNO2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one.

Molecular Properties

Compound Name6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one
PubChem CID14616674
Molecular FormulaC22H16FNO2
Molecular Weight345.37 g/mol
Exact Mass345.12
IUPAC Name6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1C21C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C22H16FNO2/c1-12-3-6-16-19(9-12)26-20-10-13(2)4-7-17(20)22(16)15-8-5-14(23)11-18(15)24-21(22)25/h3-11H,1-2H3,(H,24,25)
InChIKeyMCIHWAGCJOJIBD-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one
CID 14616665
5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one
CID 14616692
6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one
CID 102096954
3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130059248
(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130731291
6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 72698788
6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 67232508
4,4-diethyl-7-fluoro-1H-3,1-benzoxazin-2-one
CID 141197906
6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 69159711
7-methyl-4,4-di(propan-2-yl)-1H-3,1-benzoxazin-2-one
CID 161404840
4',4'-difluoro-6-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 70960495
ethane;2,2,7-trimethyl-4H-1,4-benzoxazin-3-one
CID 143767422

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one?
The IUPAC name of 6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one (CID 14616674) is 6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one.
What is the SMILES notation for 6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one?
The canonical SMILES for 6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one is Cc1ccc2c(c1)Oc1cc(C)ccc1C21C(=O)Nc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one?
The InChIKey is MCIHWAGCJOJIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO2/c1-12-3-6-16-19(9-12)26-20-10-13(2)4-7-17(20)22(16)15-8-5-14(23)11-18(15)24-21(22)25/h3-11H,1-2H3,(H,24,25).
What are the key properties of 6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one?
6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one has a molecular weight of 345.37 g/mol, XLogP of 4.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one is sourced from PubChem (CID 14616674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).