4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one

C13H8F2N2O — CID 57420560

IUPAC4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one
SMILESO=c1[nH]n(-c2ccccc2F)c2cccc(F)c12
InChIInChI=1S/C13H8F2N2O/c14-8-4-1-2-6-10(8)17-11-7-3-5-9(15)12(11)13(18)16-17/h1-7H,(H,16,18)
InChIKeyFGWDMLNIKUNOOU-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.60
Rot. Bonds1

About 4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one

4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one (PubChem CID 57420560) has the molecular formula C13H8F2N2O and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one.

Molecular Properties

Compound Name4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one
PubChem CID57420560
Molecular FormulaC13H8F2N2O
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one
SMILESO=c1[nH]n(-c2ccccc2F)c2cccc(F)c12
InChIInChI=1S/C13H8F2N2O/c14-8-4-1-2-6-10(8)17-11-7-3-5-9(15)12(11)13(18)16-17/h1-7H,(H,16,18)
InChIKeyFGWDMLNIKUNOOU-UHFFFAOYSA-N
XLogP2.60
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one?
The IUPAC name of 4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one (CID 57420560) is 4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one.
What is the SMILES notation for 4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one?
The canonical SMILES for 4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one is O=c1[nH]n(-c2ccccc2F)c2cccc(F)c12.
What is the InChIKey of 4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one?
The InChIKey is FGWDMLNIKUNOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O/c14-8-4-1-2-6-10(8)17-11-7-3-5-9(15)12(11)13(18)16-17/h1-7H,(H,16,18).
What are the key properties of 4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one?
4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one has a molecular weight of 246.22 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one is sourced from PubChem (CID 57420560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).