3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol

C11H14F4N2O — CID 129129794

IUPAC3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
SMILESCC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2O
InChIInChI=1S/C11H14F4N2O/c1-5(2)17-9-7(8(16-17)10(12)13)6(18)3-4-11(9,14)15/h5-6,10,18H,3-4H2,1-2H3
InChIKeyUBLFZHQZLSYCEY-UHFFFAOYSA-N
MW266.24 g/mol
LogP3.32
Rot. Bonds2

About 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol

3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol (PubChem CID 129129794) has the molecular formula C11H14F4N2O and a molecular weight of 266.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
PubChem CID129129794
Molecular FormulaC11H14F4N2O
Molecular Weight266.24 g/mol
Exact Mass266.10
IUPAC Name3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
SMILESCC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2O
InChIInChI=1S/C11H14F4N2O/c1-5(2)17-9-7(8(16-17)10(12)13)6(18)3-4-11(9,14)15/h5-6,10,18H,3-4H2,1-2H3
InChIKeyUBLFZHQZLSYCEY-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol?
The IUPAC name of 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol (CID 129129794) is 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol.
What is the SMILES notation for 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol?
The canonical SMILES for 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol is CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2O.
What is the InChIKey of 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol?
The InChIKey is UBLFZHQZLSYCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O/c1-5(2)17-9-7(8(16-17)10(12)13)6(18)3-4-11(9,14)15/h5-6,10,18H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol?
3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol has a molecular weight of 266.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol is sourced from PubChem (CID 129129794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).