1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one

C18H17F2NO2 — CID 155294461

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one
SMILESCC1(C)C(=O)c2ccccc2N1Cc1ccccc1OC(F)F
InChIInChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3
InChIKeyBSVSFPVFEQPRJW-UHFFFAOYSA-N
MW317.33 g/mol
LogP4.27
Rot. Bonds4

About 1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one

1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one (PubChem CID 155294461) has the molecular formula C18H17F2NO2 and a molecular weight of 317.33 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one
PubChem CID155294461
Molecular FormulaC18H17F2NO2
Molecular Weight317.33 g/mol
Exact Mass317.12
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one
SMILESCC1(C)C(=O)c2ccccc2N1Cc1ccccc1OC(F)F
InChIInChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3
InChIKeyBSVSFPVFEQPRJW-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one (CID 155294461) is 1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one is CC1(C)C(=O)c2ccccc2N1Cc1ccccc1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one?
The InChIKey is BSVSFPVFEQPRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one?
1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one has a molecular weight of 317.33 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-2,2-dimethylindol-3-one is sourced from PubChem (CID 155294461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).