6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid

C10H12F2N2O2 — CID 118136289

IUPAC6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid
SMILESCC1(C(F)F)CCc2c(C(=O)O)n[nH]c2C1
InChIInChI=1S/C10H12F2N2O2/c1-10(9(11)12)3-2-5-6(4-10)13-14-7(5)8(15)16/h9H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyYZVSEDSWWAIIOD-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.87
Rot. Bonds2

About 6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid

6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 118136289) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid
PubChem CID118136289
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid
SMILESCC1(C(F)F)CCc2c(C(=O)O)n[nH]c2C1
InChIInChI=1S/C10H12F2N2O2/c1-10(9(11)12)3-2-5-6(4-10)13-14-7(5)8(15)16/h9H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyYZVSEDSWWAIIOD-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid (CID 118136289) is 6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid is CC1(C(F)F)CCc2c(C(=O)O)n[nH]c2C1.
What is the InChIKey of 6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is YZVSEDSWWAIIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-10(9(11)12)3-2-5-6(4-10)13-14-7(5)8(15)16/h9H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid?
6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 230.21 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-6-methyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 118136289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).