7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one

C21H21F2NO2 — CID 143635731

IUPAC7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(C(c2cccc(F)c2)C2CCCO2)c2c(F)cccc21
InChIInChI=1S/C21H21F2NO2/c1-21(2)15-8-4-9-16(23)19(15)24(20(21)25)18(17-10-5-11-26-17)13-6-3-7-14(22)12-13/h3-4,6-9,12,17-18H,5,10-11H2,1-2H3
InChIKeyYYYXCGCYWFOWSX-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.51
Rot. Bonds3

About 7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one

7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one (PubChem CID 143635731) has the molecular formula C21H21F2NO2 and a molecular weight of 357.40 g/mol. Its IUPAC name is 7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one
PubChem CID143635731
Molecular FormulaC21H21F2NO2
Molecular Weight357.40 g/mol
Exact Mass357.15
IUPAC Name7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(C(c2cccc(F)c2)C2CCCO2)c2c(F)cccc21
InChIInChI=1S/C21H21F2NO2/c1-21(2)15-8-4-9-16(23)19(15)24(20(21)25)18(17-10-5-11-26-17)13-6-3-7-14(22)12-13/h3-4,6-9,12,17-18H,5,10-11H2,1-2H3
InChIKeyYYYXCGCYWFOWSX-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one?
The IUPAC name of 7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one (CID 143635731) is 7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one.
What is the SMILES notation for 7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one?
The canonical SMILES for 7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one is CC1(C)C(=O)N(C(c2cccc(F)c2)C2CCCO2)c2c(F)cccc21.
What is the InChIKey of 7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one?
The InChIKey is YYYXCGCYWFOWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO2/c1-21(2)15-8-4-9-16(23)19(15)24(20(21)25)18(17-10-5-11-26-17)13-6-3-7-14(22)12-13/h3-4,6-9,12,17-18H,5,10-11H2,1-2H3.
What are the key properties of 7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one?
7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one has a molecular weight of 357.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 143635731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).