3,3-difluoro-3a,4-dihydro-1H-indol-2-one

C8H7F2NO — CID 141275942

IUPAC3,3-difluoro-3a,4-dihydro-1H-indol-2-one
SMILESO=C1NC2=CC=CCC2C1(F)F
InChIInChI=1S/C8H7F2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-2,4-5H,3H2,(H,11,12)
InChIKeyHHGDMOOTQPIBNN-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.21
Rot. Bonds

About 3,3-difluoro-3a,4-dihydro-1H-indol-2-one

3,3-difluoro-3a,4-dihydro-1H-indol-2-one (PubChem CID 141275942) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 3,3-difluoro-3a,4-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name3,3-difluoro-3a,4-dihydro-1H-indol-2-one
PubChem CID141275942
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name3,3-difluoro-3a,4-dihydro-1H-indol-2-one
SMILESO=C1NC2=CC=CCC2C1(F)F
InChIInChI=1S/C8H7F2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-2,4-5H,3H2,(H,11,12)
InChIKeyHHGDMOOTQPIBNN-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3a,4-dihydro-1H-indol-2-one?
The IUPAC name of 3,3-difluoro-3a,4-dihydro-1H-indol-2-one (CID 141275942) is 3,3-difluoro-3a,4-dihydro-1H-indol-2-one.
What is the SMILES notation for 3,3-difluoro-3a,4-dihydro-1H-indol-2-one?
The canonical SMILES for 3,3-difluoro-3a,4-dihydro-1H-indol-2-one is O=C1NC2=CC=CCC2C1(F)F.
What is the InChIKey of 3,3-difluoro-3a,4-dihydro-1H-indol-2-one?
The InChIKey is HHGDMOOTQPIBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-2,4-5H,3H2,(H,11,12).
What are the key properties of 3,3-difluoro-3a,4-dihydro-1H-indol-2-one?
3,3-difluoro-3a,4-dihydro-1H-indol-2-one has a molecular weight of 171.15 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3a,4-dihydro-1H-indol-2-one is sourced from PubChem (CID 141275942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).