1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole

C9H11F3N2 — CID 83414722

IUPAC1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
SMILESFC(F)(F)Cn1ncc2c1CCCC2
InChIInChI=1S/C9H11F3N2/c10-9(11,12)6-14-8-4-2-1-3-7(8)5-13-14/h5H,1-4,6H2
InChIKeyYCFKEVYCBWOXMU-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.32
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole

1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 83414722) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
PubChem CID83414722
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
SMILESFC(F)(F)Cn1ncc2c1CCCC2
InChIInChI=1S/C9H11F3N2/c10-9(11,12)6-14-8-4-2-1-3-7(8)5-13-14/h5H,1-4,6H2
InChIKeyYCFKEVYCBWOXMU-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole (CID 83414722) is 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole is FC(F)(F)Cn1ncc2c1CCCC2.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is YCFKEVYCBWOXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-9(11,12)6-14-8-4-2-1-3-7(8)5-13-14/h5H,1-4,6H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 204.19 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 83414722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).