3,3-difluoro-5,6-dihydro-1H-indol-2-one

C8H7F2NO — CID 156714924

IUPAC3,3-difluoro-5,6-dihydro-1H-indol-2-one
SMILESO=C1NC2=CCCC=C2C1(F)F
InChIInChI=1S/C8H7F2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h3-4H,1-2H2,(H,11,12)
InChIKeyANFMSFCDBAUUSA-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.36
Rot. Bonds

About 3,3-difluoro-5,6-dihydro-1H-indol-2-one

3,3-difluoro-5,6-dihydro-1H-indol-2-one (PubChem CID 156714924) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 3,3-difluoro-5,6-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name3,3-difluoro-5,6-dihydro-1H-indol-2-one
PubChem CID156714924
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name3,3-difluoro-5,6-dihydro-1H-indol-2-one
SMILESO=C1NC2=CCCC=C2C1(F)F
InChIInChI=1S/C8H7F2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h3-4H,1-2H2,(H,11,12)
InChIKeyANFMSFCDBAUUSA-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide
CID 88688295
5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one
CID 89364750
(5E)-5-[(Z)-5,5,5-trifluoropent-2-enylidene]pyrrolidin-2-one
CID 132193737
3,3-Difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one
CID 145311735
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane
CID 145414261
6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one
CID 145486992
3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen
CID 156714923
(2Z)-3,3,3-trifluoro-2-(2-oxo-5,6-dihydro-1H-indol-3-ylidene)propanenitrile
CID 164061132
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one
CID 145414262
6,6-Difluoro-1,5-dihydroindole-2,3-dione
CID 149991014
1,3,5,6-Tetrahydroindol-2-one
CID 68113395
3-Methylidene-5,6-dihydroisoindol-1-one
CID 141829791

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5,6-dihydro-1H-indol-2-one?
The IUPAC name of 3,3-difluoro-5,6-dihydro-1H-indol-2-one (CID 156714924) is 3,3-difluoro-5,6-dihydro-1H-indol-2-one.
What is the SMILES notation for 3,3-difluoro-5,6-dihydro-1H-indol-2-one?
The canonical SMILES for 3,3-difluoro-5,6-dihydro-1H-indol-2-one is O=C1NC2=CCCC=C2C1(F)F.
What is the InChIKey of 3,3-difluoro-5,6-dihydro-1H-indol-2-one?
The InChIKey is ANFMSFCDBAUUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h3-4H,1-2H2,(H,11,12).
What are the key properties of 3,3-difluoro-5,6-dihydro-1H-indol-2-one?
3,3-difluoro-5,6-dihydro-1H-indol-2-one has a molecular weight of 171.15 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5,6-dihydro-1H-indol-2-one is sourced from PubChem (CID 156714924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).