1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C10H13F3N2 — CID 71204306

IUPAC1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C10H13F3N2/c1-2-15-8-6-4-3-5-7(8)9(14-15)10(11,12)13/h2-6H2,1H3
InChIKeyYGMTWFHXMWVXTF-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.80
Rot. Bonds1

About 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 71204306) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID71204306
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C10H13F3N2/c1-2-15-8-6-4-3-5-7(8)9(14-15)10(11,12)13/h2-6H2,1H3
InChIKeyYGMTWFHXMWVXTF-UHFFFAOYSA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 71204306) is 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CCn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is YGMTWFHXMWVXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-2-15-8-6-4-3-5-7(8)9(14-15)10(11,12)13/h2-6H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 218.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 71204306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).