3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole

C9H11F3N2 — CID 66874840

IUPAC3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)(F)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C9H11F3N2/c10-9(11,12)5-8-6-3-1-2-4-7(6)13-14-8/h1-5H2,(H,13,14)
InChIKeyCOCRJNHMCYSBPP-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.39
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole

3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 66874840) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID66874840
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)(F)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C9H11F3N2/c10-9(11,12)5-8-6-3-1-2-4-7(6)13-14-8/h1-5H2,(H,13,14)
InChIKeyCOCRJNHMCYSBPP-UHFFFAOYSA-N
XLogP2.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole (CID 66874840) is 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole is FC(F)(F)Cc1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is COCRJNHMCYSBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-9(11,12)5-8-6-3-1-2-4-7(6)13-14-8/h1-5H2,(H,13,14).
What are the key properties of 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole?
3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 204.19 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 66874840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).