5-fluoro-3,3-dimethoxy-1H-indol-2-one

C10H10FNO3 — CID 162744174

IUPAC5-fluoro-3,3-dimethoxy-1H-indol-2-one
SMILESCOC1(OC)C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C10H10FNO3/c1-14-10(15-2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKeyUIJWPQIMXKZHFP-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.22
Rot. Bonds2

About 5-fluoro-3,3-dimethoxy-1H-indol-2-one

5-fluoro-3,3-dimethoxy-1H-indol-2-one (PubChem CID 162744174) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 5-fluoro-3,3-dimethoxy-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3,3-dimethoxy-1H-indol-2-one
PubChem CID162744174
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name5-fluoro-3,3-dimethoxy-1H-indol-2-one
SMILESCOC1(OC)C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C10H10FNO3/c1-14-10(15-2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKeyUIJWPQIMXKZHFP-UHFFFAOYSA-N
XLogP1.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethoxy-1H-indol-2-one;ethane
CID 54484011
5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58482281
5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one
CID 58386493
3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one
CID 166482233
(3R)-3-(3,3-dimethoxy-2-oxopropyl)-5-fluoro-3-hydroxy-1H-indol-2-one
CID 102435621
(3S)-5-fluoro-3-hydroxy-3-(nitromethyl)-1H-indol-2-one
CID 129396744
5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
CID 11559077
3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one
CID 58485436
5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one
CID 14616665
5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 83820003
2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52995768
(3R)-5-fluorospiro[1H-indole-3,3'-oxolane]-2-one
CID 124681361

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3-dimethoxy-1H-indol-2-one?
The IUPAC name of 5-fluoro-3,3-dimethoxy-1H-indol-2-one (CID 162744174) is 5-fluoro-3,3-dimethoxy-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3,3-dimethoxy-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3,3-dimethoxy-1H-indol-2-one is COC1(OC)C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3,3-dimethoxy-1H-indol-2-one?
The InChIKey is UIJWPQIMXKZHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-14-10(15-2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5-fluoro-3,3-dimethoxy-1H-indol-2-one?
5-fluoro-3,3-dimethoxy-1H-indol-2-one has a molecular weight of 211.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3-dimethoxy-1H-indol-2-one is sourced from PubChem (CID 162744174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).