3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one

C17H13F4NO2 — CID 135063196

IUPAC3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one
SMILESCOc1ccc2c(c1)N(C)C(=O)C2(F)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F4NO2/c1-22-14-9-10(24-2)7-8-13(14)16(18,15(22)23)11-5-3-4-6-12(11)17(19,20)21/h3-9H,1-2H3
InChIKeyCWDARYGHKWHQFB-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.90
Rot. Bonds2

About 3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one

3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one (PubChem CID 135063196) has the molecular formula C17H13F4NO2 and a molecular weight of 339.29 g/mol. Its IUPAC name is 3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one.

Molecular Properties

Compound Name3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one
PubChem CID135063196
Molecular FormulaC17H13F4NO2
Molecular Weight339.29 g/mol
Exact Mass339.09
IUPAC Name3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one
SMILESCOc1ccc2c(c1)N(C)C(=O)C2(F)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F4NO2/c1-22-14-9-10(24-2)7-8-13(14)16(18,15(22)23)11-5-3-4-6-12(11)17(19,20)21/h3-9H,1-2H3
InChIKeyCWDARYGHKWHQFB-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(trifluoromethoxy)benzyl]-1,3-dihydro-2H-indol-2-one
CID 16413179
1-[3-(4-Methoxyphenyl)propanoyl]-2-methylindoline
CID 2971574
3-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 11545363
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 137362109
1-[3-(4-Methoxyphenyl)propanoyl]indoline
CID 898384
2-[2-(7-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)-2-oxoethyl]hexahydro-1H-isoindole-1,3(2H)-dione
CID 2913780
1''-cyclooctylmethyl-1-cyclopropylmethyl-6-methoxyspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982528
1''-cyclooctylmethyl-1-ethyl-6-methoxyspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15983067
(3E)-6-methoxy-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 42629365
1''-cyclooctylmethyl-6-methoxy-1-methylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 44404684
(3E)-6-methoxy-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 44582275
(E)-3-(2-oxopropylidene)-6-(trifluoromethoxy)indolin-2-one
CID 54584723

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one?
The IUPAC name of 3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one (CID 135063196) is 3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one.
What is the SMILES notation for 3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one?
The canonical SMILES for 3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one is COc1ccc2c(c1)N(C)C(=O)C2(F)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one?
The InChIKey is CWDARYGHKWHQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO2/c1-22-14-9-10(24-2)7-8-13(14)16(18,15(22)23)11-5-3-4-6-12(11)17(19,20)21/h3-9H,1-2H3.
What are the key properties of 3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one?
3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one has a molecular weight of 339.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methoxy-1-methyl-3-[2-(trifluoromethyl)phenyl]indol-2-one is sourced from PubChem (CID 135063196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).