3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

C8H10F2N2 — CID 19616647

IUPAC3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C8H10F2N2/c9-8(10)7-5-3-1-2-4-6(5)11-12-7/h8H,1-4H2,(H,11,12)
InChIKeyOGUSNGSCFPPYNE-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.23
Rot. Bonds1

About 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 19616647) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID19616647
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C8H10F2N2/c9-8(10)7-5-3-1-2-4-6(5)11-12-7/h8H,1-4H2,(H,11,12)
InChIKeyOGUSNGSCFPPYNE-UHFFFAOYSA-N
XLogP2.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (CID 19616647) is 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole is FC(F)c1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is OGUSNGSCFPPYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c9-8(10)7-5-3-1-2-4-6(5)11-12-7/h8H,1-4H2,(H,11,12).
What are the key properties of 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 172.18 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 19616647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).