1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol

C8H9F3N2O — CID 175970597

IUPAC1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol
SMILESOC1CCCc2cnn(C(F)(F)F)c21
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)13-7-5(4-12-13)2-1-3-6(7)14/h4,6,14H,1-3H2
InChIKeyDARCAQVZFNONJA-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.73
Rot. Bonds

About 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol

1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol (PubChem CID 175970597) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol
PubChem CID175970597
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol
SMILESOC1CCCc2cnn(C(F)(F)F)c21
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)13-7-5(4-12-13)2-1-3-6(7)14/h4,6,14H,1-3H2
InChIKeyDARCAQVZFNONJA-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol?
The IUPAC name of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol (CID 175970597) is 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol.
What is the SMILES notation for 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol?
The canonical SMILES for 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol is OC1CCCc2cnn(C(F)(F)F)c21.
What is the InChIKey of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol?
The InChIKey is DARCAQVZFNONJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)13-7-5(4-12-13)2-1-3-6(7)14/h4,6,14H,1-3H2.
What are the key properties of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol?
1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol has a molecular weight of 206.17 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol is sourced from PubChem (CID 175970597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).