1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]

C10H11F3N2O2 — CID 90793290

IUPAC1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
SMILES[2H]C1c2c(C(F)(F)F)nn([2H])c2CCC12OC([2H])([2H])C([2H])([2H])O2
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)/i3D2,4D2,5D/hD
InChIKeyFVZMHORKMDVJBU-JGALXJNWSA-N
MW254.24 g/mol
LogP1.66
Rot. Bonds

About 1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]

1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] (PubChem CID 90793290) has the molecular formula C10H11F3N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole].

Molecular Properties

Compound Name1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
PubChem CID90793290
Molecular FormulaC10H11F3N2O2
Molecular Weight254.24 g/mol
Exact Mass254.11
IUPAC Name1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
SMILES[2H]C1c2c(C(F)(F)F)nn([2H])c2CCC12OC([2H])([2H])C([2H])([2H])O2
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)/i3D2,4D2,5D/hD
InChIKeyFVZMHORKMDVJBU-JGALXJNWSA-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 ≤ 500254.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
The IUPAC name of 1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] (CID 90793290) is 1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole].
What is the SMILES notation for 1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
The canonical SMILES for 1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] is [2H]C1c2c(C(F)(F)F)nn([2H])c2CCC12OC([2H])([2H])C([2H])([2H])O2.
What is the InChIKey of 1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
The InChIKey is FVZMHORKMDVJBU-JGALXJNWSA-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)/i3D2,4D2,5D/hD.
What are the key properties of 1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]?
1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] has a molecular weight of 254.24 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 1',4,4,4',5,5-hexadeuterio-3'-(trifluoromethyl)spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole] is sourced from PubChem (CID 90793290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).