3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one

C8H8F2N2O — CID 123229470

IUPAC3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one
SMILESO=C1CCCc2c1n[nH]c2C(F)F
InChIInChI=1S/C8H8F2N2O/c9-8(10)7-4-2-1-3-5(13)6(4)11-12-7/h8H,1-3H2,(H,11,12)
InChIKeyWWIPIBJZRCKDIX-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.87
Rot. Bonds1

About 3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one

3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one (PubChem CID 123229470) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one.

Molecular Properties

Compound Name3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one
PubChem CID123229470
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one
SMILESO=C1CCCc2c1n[nH]c2C(F)F
InChIInChI=1S/C8H8F2N2O/c9-8(10)7-4-2-1-3-5(13)6(4)11-12-7/h8H,1-3H2,(H,11,12)
InChIKeyWWIPIBJZRCKDIX-UHFFFAOYSA-N
XLogP1.87
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one?
The IUPAC name of 3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one (CID 123229470) is 3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one.
What is the SMILES notation for 3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one?
The canonical SMILES for 3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one is O=C1CCCc2c1n[nH]c2C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one?
The InChIKey is WWIPIBJZRCKDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c9-8(10)7-4-2-1-3-5(13)6(4)11-12-7/h8H,1-3H2,(H,11,12).
What are the key properties of 3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one?
3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one has a molecular weight of 186.16 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2,4,5,6-tetrahydroindazol-7-one is sourced from PubChem (CID 123229470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).