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

C8H9F3N2 — CID 2802863

IUPAC3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)(F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-5-3-1-2-4-6(5)12-13-7/h1-4H2,(H,12,13)
InChIKeyKTULFINKQNWXNY-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.31
Rot. Bonds

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

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 2802863) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID2802863
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)(F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-5-3-1-2-4-6(5)12-13-7/h1-4H2,(H,12,13)
InChIKeyKTULFINKQNWXNY-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (CID 2802863) is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole is FC(F)(F)c1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is KTULFINKQNWXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)7-5-3-1-2-4-6(5)12-13-7/h1-4H2,(H,12,13).
What are the key properties of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 190.17 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 2802863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).