1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole

C11H13F3N2 — CID 71204659

IUPAC1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCC=C2
InChIInChI=1S/C11H13F3N2/c1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14/h3,5,7H,4,6H2,1-2H3
InChIKeyKYOBECFUQZZWCY-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.44
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole

1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole (PubChem CID 71204659) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole
PubChem CID71204659
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCC=C2
InChIInChI=1S/C11H13F3N2/c1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14/h3,5,7H,4,6H2,1-2H3
InChIKeyKYOBECFUQZZWCY-UHFFFAOYSA-N
XLogP3.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole (CID 71204659) is 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole is CC(C)n1nc(C(F)(F)F)c2c1CCC=C2.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole?
The InChIKey is KYOBECFUQZZWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole?
1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole has a molecular weight of 230.23 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole is sourced from PubChem (CID 71204659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).