1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole

C10H11F3N2 — CID 118357656

IUPAC1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole
SMILESCCn1nc(C(F)(F)F)c2c1CCC=C2
InChIInChI=1S/C10H11F3N2/c1-2-15-8-6-4-3-5-7(8)9(14-15)10(11,12)13/h3,5H,2,4,6H2,1H3
InChIKeyLVEMESHRBWEPIK-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.88
Rot. Bonds1

About 1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole

1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole (PubChem CID 118357656) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole
PubChem CID118357656
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole
SMILESCCn1nc(C(F)(F)F)c2c1CCC=C2
InChIInChI=1S/C10H11F3N2/c1-2-15-8-6-4-3-5-7(8)9(14-15)10(11,12)13/h3,5H,2,4,6H2,1H3
InChIKeyLVEMESHRBWEPIK-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.88
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)-6,7-dihydroindazole?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole (CID 118357656) is 1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole is CCn1nc(C(F)(F)F)c2c1CCC=C2.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole?
The InChIKey is LVEMESHRBWEPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-2-15-8-6-4-3-5-7(8)9(14-15)10(11,12)13/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole?
1-ethyl-3-(trifluoromethyl)-6,7-dihydroindazole has a molecular weight of 216.21 g/mol, XLogP of 2.88, 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)-6,7-dihydroindazole is sourced from PubChem (CID 118357656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).