6-fluoro-1,4,5,6-tetrahydroindazol-7-one

C7H7FN2O — CID 166719465

IUPAC6-fluoro-1,4,5,6-tetrahydroindazol-7-one
SMILESO=C1c2[nH]ncc2CCC1F
InChIInChI=1S/C7H7FN2O/c8-5-2-1-4-3-9-10-6(4)7(5)11/h3,5H,1-2H2,(H,9,10)
InChIKeyDFMKGFAXTTUWPU-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.88
Rot. Bonds

About 6-fluoro-1,4,5,6-tetrahydroindazol-7-one

6-fluoro-1,4,5,6-tetrahydroindazol-7-one (PubChem CID 166719465) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 6-fluoro-1,4,5,6-tetrahydroindazol-7-one.

Molecular Properties

Compound Name6-fluoro-1,4,5,6-tetrahydroindazol-7-one
PubChem CID166719465
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name6-fluoro-1,4,5,6-tetrahydroindazol-7-one
SMILESO=C1c2[nH]ncc2CCC1F
InChIInChI=1S/C7H7FN2O/c8-5-2-1-4-3-9-10-6(4)7(5)11/h3,5H,1-2H2,(H,9,10)
InChIKeyDFMKGFAXTTUWPU-UHFFFAOYSA-N
XLogP0.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-indazol-4-one
CID 10171247
4,5,6,7-tetrahydro-1H-indazol-6-one
CID 12898421
4,5,6,7-tetrahydro-1H-indazol-7-one
CID 69896970
4,5,6,7-tetrahydro-1H-indazol-5-one hydrochloride
CID 155821028
5-Methyl-1h-indazole-4,7-dione
CID 264917
4,7-Dioxoindazole
CID 21545714
4,5-Dioxo-4,5,6,7-tetrahydroindazole
CID 69745042
4,5,6,7-Tetrahydro-5(1h)-indazolone
CID 55254747
1-[4-(2-chloro-2,2-difluoroethyl)-1H-pyrazol-5-yl]ethanone
CID 123610176
7H-Indazol-7-one, 1,4,5,6-tetrahydro-3-(trifluoromethyl)-
CID 129949085
1-Chloro-6,6-difluoro-4,5-dihydroindazol-7-one
CID 166719466
5-Fluoro-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 168250726

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,4,5,6-tetrahydroindazol-7-one?
The IUPAC name of 6-fluoro-1,4,5,6-tetrahydroindazol-7-one (CID 166719465) is 6-fluoro-1,4,5,6-tetrahydroindazol-7-one.
What is the SMILES notation for 6-fluoro-1,4,5,6-tetrahydroindazol-7-one?
The canonical SMILES for 6-fluoro-1,4,5,6-tetrahydroindazol-7-one is O=C1c2[nH]ncc2CCC1F.
What is the InChIKey of 6-fluoro-1,4,5,6-tetrahydroindazol-7-one?
The InChIKey is DFMKGFAXTTUWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c8-5-2-1-4-3-9-10-6(4)7(5)11/h3,5H,1-2H2,(H,9,10).
What are the key properties of 6-fluoro-1,4,5,6-tetrahydroindazol-7-one?
6-fluoro-1,4,5,6-tetrahydroindazol-7-one has a molecular weight of 154.14 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,4,5,6-tetrahydroindazol-7-one is sourced from PubChem (CID 166719465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).