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

C12H17F3N2O — CID 90162164

IUPAC3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
SMILESCC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2O
InChIInChI=1S/C12H17F3N2O/c1-6(2)17-10-8(9(16-17)11(13)14)7(18)4-5-12(10,3)15/h6-7,11,18H,4-5H2,1-3H3
InChIKeyKRQACDPVMRGHOX-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.41
Rot. Bonds2

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

3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol (PubChem CID 90162164) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
PubChem CID90162164
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
SMILESCC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2O
InChIInChI=1S/C12H17F3N2O/c1-6(2)17-10-8(9(16-17)11(13)14)7(18)4-5-12(10,3)15/h6-7,11,18H,4-5H2,1-3H3
InChIKeyKRQACDPVMRGHOX-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol?
The IUPAC name of 3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol (CID 90162164) is 3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol.
What is the SMILES notation for 3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol?
The canonical SMILES for 3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol is CC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2O.
What is the InChIKey of 3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol?
The InChIKey is KRQACDPVMRGHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-6(2)17-10-8(9(16-17)11(13)14)7(18)4-5-12(10,3)15/h6-7,11,18H,4-5H2,1-3H3.
What are the key properties of 3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol?
3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol has a molecular weight of 262.27 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol is sourced from PubChem (CID 90162164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).