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

C9H10F4N2O — CID 90167674

IUPAC3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol
SMILESCn1nc(C(F)F)c2c1C(F)(F)CCC2O
InChIInChI=1S/C9H10F4N2O/c1-15-7-5(6(14-15)8(10)11)4(16)2-3-9(7,12)13/h4,8,16H,2-3H2,1H3
InChIKeyPVHNXXCDANCHRW-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.28
Rot. Bonds1

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

3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol (PubChem CID 90167674) has the molecular formula C9H10F4N2O and a molecular weight of 238.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol
PubChem CID90167674
Molecular FormulaC9H10F4N2O
Molecular Weight238.18 g/mol
Exact Mass238.07
IUPAC Name3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol
SMILESCn1nc(C(F)F)c2c1C(F)(F)CCC2O
InChIInChI=1S/C9H10F4N2O/c1-15-7-5(6(14-15)8(10)11)4(16)2-3-9(7,12)13/h4,8,16H,2-3H2,1H3
InChIKeyPVHNXXCDANCHRW-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol?
The IUPAC name of 3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol (CID 90167674) is 3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol.
What is the SMILES notation for 3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol?
The canonical SMILES for 3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol is Cn1nc(C(F)F)c2c1C(F)(F)CCC2O.
What is the InChIKey of 3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol?
The InChIKey is PVHNXXCDANCHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O/c1-15-7-5(6(14-15)8(10)11)4(16)2-3-9(7,12)13/h4,8,16H,2-3H2,1H3.
What are the key properties of 3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol?
3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol has a molecular weight of 238.18 g/mol, XLogP of 2.28, 1 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-methyl-5,6-dihydro-4H-indazol-4-ol is sourced from PubChem (CID 90167674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).