3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol

C8H9F3N2O — CID 57368453

IUPAC3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol
SMILESOC1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7-5-3-4(14)1-2-6(5)12-13-7/h4,14H,1-3H2,(H,12,13)
InChIKeySPGXUFKNDPJPAX-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.28
Rot. Bonds

About 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol (PubChem CID 57368453) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol
PubChem CID57368453
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol
SMILESOC1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7-5-3-4(14)1-2-6(5)12-13-7/h4,14H,1-3H2,(H,12,13)
InChIKeySPGXUFKNDPJPAX-UHFFFAOYSA-N
XLogP1.28
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol (CID 57368453) is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol is OC1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol?
The InChIKey is SPGXUFKNDPJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)7-5-3-4(14)1-2-6(5)12-13-7/h4,14H,1-3H2,(H,12,13).
What are the key properties of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol?
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol has a molecular weight of 206.17 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol is sourced from PubChem (CID 57368453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).