3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]

C10H11F3N2O2 — CID 69175078

IUPAC3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]
SMILESFC(F)(F)c1n[nH]c2c1CC1(CC2)OCCO1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8-6-5-9(16-3-4-17-9)2-1-7(6)14-15-8/h1-5H2,(H,14,15)
InChIKeyFVZMHORKMDVJBU-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.66
Rot. Bonds

About 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]

3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] (PubChem CID 69175078) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole].

Molecular Properties

Compound Name3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]
PubChem CID69175078
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]
SMILESFC(F)(F)c1n[nH]c2c1CC1(CC2)OCCO1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8-6-5-9(16-3-4-17-9)2-1-7(6)14-15-8/h1-5H2,(H,14,15)
InChIKeyFVZMHORKMDVJBU-UHFFFAOYSA-N
XLogP1.66
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]?
The IUPAC name of 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] (CID 69175078) is 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole].
What is the SMILES notation for 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]?
The canonical SMILES for 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] is FC(F)(F)c1n[nH]c2c1CC1(CC2)OCCO1.
What is the InChIKey of 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]?
The InChIKey is FVZMHORKMDVJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)8-6-5-9(16-3-4-17-9)2-1-7(6)14-15-8/h1-5H2,(H,14,15).
What are the key properties of 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]?
3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] has a molecular weight of 248.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] is sourced from PubChem (CID 69175078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).