(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one

C15H11F2NO — CID 135062562

IUPAC(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
SMILESCN1C(=O)[C@](F)(c2ccccc2F)c2ccccc21
InChIInChI=1S/C15H11F2NO/c1-18-13-9-5-3-7-11(13)15(17,14(18)19)10-6-2-4-8-12(10)16/h2-9H,1H3/t15-/m0/s1
InChIKeyODFKVRRLBGIDGU-HNNXBMFYSA-N
MW259.25 g/mol
LogP3.02
Rot. Bonds1

About (3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one

(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one (PubChem CID 135062562) has the molecular formula C15H11F2NO and a molecular weight of 259.25 g/mol. Its IUPAC name is (3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one.

Molecular Properties

Compound Name(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
PubChem CID135062562
Molecular FormulaC15H11F2NO
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC Name(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
SMILESCN1C(=O)[C@](F)(c2ccccc2F)c2ccccc21
InChIInChI=1S/C15H11F2NO/c1-18-13-9-5-3-7-11(13)15(17,14(18)19)10-6-2-4-8-12(10)16/h2-9H,1H3/t15-/m0/s1
InChIKeyODFKVRRLBGIDGU-HNNXBMFYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
CID 132608894
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CID 57425073
(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
CID 139095917
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
9,9,10-trimethylacridine
CID 610451
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 71606779
3-chloro-1-methyl-3-(trichloromethyl)indol-2-one
CID 121215854

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one?
The IUPAC name of (3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one (CID 135062562) is (3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one.
What is the SMILES notation for (3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one?
The canonical SMILES for (3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one is CN1C(=O)[C@](F)(c2ccccc2F)c2ccccc21.
What is the InChIKey of (3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one?
The InChIKey is ODFKVRRLBGIDGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H11F2NO/c1-18-13-9-5-3-7-11(13)15(17,14(18)19)10-6-2-4-8-12(10)16/h2-9H,1H3/t15-/m0/s1.
What are the key properties of (3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one?
(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one has a molecular weight of 259.25 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one is sourced from PubChem (CID 135062562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).