6-fluoro-1,5-dimethyl-6,7-dihydroindazole

C9H11FN2 — CID 146499106

IUPAC6-fluoro-1,5-dimethyl-6,7-dihydroindazole
SMILESCC1=Cc2cnn(C)c2CC1F
InChIInChI=1S/C9H11FN2/c1-6-3-7-5-11-12(2)9(7)4-8(6)10/h3,5,8H,4H2,1-2H3
InChIKeyONCWPPXFYZPLRP-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.72
Rot. Bonds

About 6-fluoro-1,5-dimethyl-6,7-dihydroindazole

6-fluoro-1,5-dimethyl-6,7-dihydroindazole (PubChem CID 146499106) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 6-fluoro-1,5-dimethyl-6,7-dihydroindazole.

Molecular Properties

Compound Name6-fluoro-1,5-dimethyl-6,7-dihydroindazole
PubChem CID146499106
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name6-fluoro-1,5-dimethyl-6,7-dihydroindazole
SMILESCC1=Cc2cnn(C)c2CC1F
InChIInChI=1S/C9H11FN2/c1-6-3-7-5-11-12(2)9(7)4-8(6)10/h3,5,8H,4H2,1-2H3
InChIKeyONCWPPXFYZPLRP-UHFFFAOYSA-N
XLogP1.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,5-dimethyl-6,7-dihydroindazole?
The IUPAC name of 6-fluoro-1,5-dimethyl-6,7-dihydroindazole (CID 146499106) is 6-fluoro-1,5-dimethyl-6,7-dihydroindazole.
What is the SMILES notation for 6-fluoro-1,5-dimethyl-6,7-dihydroindazole?
The canonical SMILES for 6-fluoro-1,5-dimethyl-6,7-dihydroindazole is CC1=Cc2cnn(C)c2CC1F.
What is the InChIKey of 6-fluoro-1,5-dimethyl-6,7-dihydroindazole?
The InChIKey is ONCWPPXFYZPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-6-3-7-5-11-12(2)9(7)4-8(6)10/h3,5,8H,4H2,1-2H3.
What are the key properties of 6-fluoro-1,5-dimethyl-6,7-dihydroindazole?
6-fluoro-1,5-dimethyl-6,7-dihydroindazole has a molecular weight of 166.20 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,5-dimethyl-6,7-dihydroindazole is sourced from PubChem (CID 146499106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).