1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C8H9F3N2 — CID 91573377

IUPAC1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESFC(F)(F)n1ncc2c1CCCC2
InChIInChI=1S/C8H9F3N2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12-13/h5H,1-4H2
InChIKeyGQYUYWQZISEDLK-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.24
Rot. Bonds

About 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 91573377) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID91573377
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESFC(F)(F)n1ncc2c1CCCC2
InChIInChI=1S/C8H9F3N2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12-13/h5H,1-4H2
InChIKeyGQYUYWQZISEDLK-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-Methyl-4,5,6,7-tetrahydro-2H-indazol-5-amine
CID 45121281
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 84717099
2-Methyl-4,5,6,7-tetrahydro-2H-indazole
CID 21724025
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
1-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 45791492
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
CID 54594815
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carbonitrile
CID 84716793
2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-2H-indazol-7-amine hydrochloride
CID 165670376

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 91573377) is 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is FC(F)(F)n1ncc2c1CCCC2.
What is the InChIKey of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is GQYUYWQZISEDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12-13/h5H,1-4H2.
What are the key properties of 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 190.17 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 91573377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).