3-(1,1-difluoroethyl)-2H-indazol-7-ol

C9H8F2N2O — CID 84668046

IUPAC3-(1,1-difluoroethyl)-2H-indazol-7-ol
SMILESCC(F)(F)c1[nH]nc2c(O)cccc12
InChIInChI=1S/C9H8F2N2O/c1-9(10,11)8-5-3-2-4-6(14)7(5)12-13-8/h2-4,14H,1H3,(H,12,13)
InChIKeyOGJJCZKFMBAEEV-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.38
Rot. Bonds1

About 3-(1,1-difluoroethyl)-2H-indazol-7-ol

3-(1,1-difluoroethyl)-2H-indazol-7-ol (PubChem CID 84668046) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-2H-indazol-7-ol.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-2H-indazol-7-ol
PubChem CID84668046
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name3-(1,1-difluoroethyl)-2H-indazol-7-ol
SMILESCC(F)(F)c1[nH]nc2c(O)cccc12
InChIInChI=1S/C9H8F2N2O/c1-9(10,11)8-5-3-2-4-6(14)7(5)12-13-8/h2-4,14H,1H3,(H,12,13)
InChIKeyOGJJCZKFMBAEEV-UHFFFAOYSA-N
XLogP2.38
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-7-(trifluoromethyl)-2H-indazole
CID 58087989
3-(hydroxymethyl)-2H-indazol-7-ol
CID 84716965
[3-(trifluoromethyl)-2H-indazol-7-yl]methanamine
CID 105468296
3-cycloheptyl-2H-indazol-7-ol
CID 105488343
3-chloro-7-(trifluoromethyl)-2H-indazole
CID 105476798
2-(3-bromo-2H-indazol-7-yl)propan-2-ol
CID 84708467
2-(1,1-difluoroethyl)-1-benzothiophen-4-ol
CID 84680280
3-(trifluoromethyl)-2H-pyrazolo[4,3-h]quinoline
CID 102451668
N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine
CID 145079734
4-(3-methylphenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole
CID 91117233
4-phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole
CID 15075858
[3-(trifluoromethyl)-2H-indazol-4-yl]boronic acid
CID 135395164

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-2H-indazol-7-ol?
The IUPAC name of 3-(1,1-difluoroethyl)-2H-indazol-7-ol (CID 84668046) is 3-(1,1-difluoroethyl)-2H-indazol-7-ol.
What is the SMILES notation for 3-(1,1-difluoroethyl)-2H-indazol-7-ol?
The canonical SMILES for 3-(1,1-difluoroethyl)-2H-indazol-7-ol is CC(F)(F)c1[nH]nc2c(O)cccc12.
What is the InChIKey of 3-(1,1-difluoroethyl)-2H-indazol-7-ol?
The InChIKey is OGJJCZKFMBAEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-9(10,11)8-5-3-2-4-6(14)7(5)12-13-8/h2-4,14H,1H3,(H,12,13).
What are the key properties of 3-(1,1-difluoroethyl)-2H-indazol-7-ol?
3-(1,1-difluoroethyl)-2H-indazol-7-ol has a molecular weight of 198.17 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-2H-indazol-7-ol is sourced from PubChem (CID 84668046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).