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

C8H9F2NO — CID 156714923

IUPAC3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen
SMILESO=C1NC2=CCCC=C2C1(F)F.[H][H]
InChIInChI=1S/C8H7F2NO.H2/c9-8(10)5-3-1-2-4-6(5)11-7(8)12;/h3-4H,1-2H2,(H,11,12);1H
InChIKeyBKXNTVWGOQIYQI-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.60
Rot. Bonds

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

3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen (PubChem CID 156714923) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen.

Molecular Properties

Compound Name3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen
PubChem CID156714923
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen
SMILESO=C1NC2=CCCC=C2C1(F)F.[H][H]
InChIInChI=1S/C8H7F2NO.H2/c9-8(10)5-3-1-2-4-6(5)11-7(8)12;/h3-4H,1-2H2,(H,11,12);1H
InChIKeyBKXNTVWGOQIYQI-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen?
The IUPAC name of 3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen (CID 156714923) is 3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen.
What is the SMILES notation for 3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen?
The canonical SMILES for 3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen is O=C1NC2=CCCC=C2C1(F)F.[H][H].
What is the InChIKey of 3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen?
The InChIKey is BKXNTVWGOQIYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO.H2/c9-8(10)5-3-1-2-4-6(5)11-7(8)12;/h3-4H,1-2H2,(H,11,12);1H.
What are the key properties of 3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen?
3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen has a molecular weight of 173.16 g/mol, XLogP of 1.60, 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;molecular hydrogen is sourced from PubChem (CID 156714923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).