tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+))

C15H3Au3F18N6 — CID 139129876

IUPACtris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+))
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Au+].[Au+].[Au+]
InChIInChI=1S/3C5HF6N2.3Au/c3*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;/h3*1H;;;/q3*-1;3*+1
InChIKeySZGQZMSLMSPWGG-UHFFFAOYSA-N
MW1200.10 g/mol
LogP6.22
Rot. Bonds

About tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+))

tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+)) (PubChem CID 139129876) has the molecular formula C15H3Au3F18N6 and a molecular weight of 1200.10 g/mol. Its IUPAC name is tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+)).

Molecular Properties

Compound Nametris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+))
PubChem CID139129876
Molecular FormulaC15H3Au3F18N6
Molecular Weight1200.10 g/mol
Exact Mass1199.91
IUPAC Nametris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+))
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Au+].[Au+].[Au+]
InChIInChI=1S/3C5HF6N2.3Au/c3*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;/h3*1H;;;/q3*-1;3*+1
InChIKeySZGQZMSLMSPWGG-UHFFFAOYSA-N
XLogP6.22
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001200.10
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+))?
The IUPAC name of tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+)) (CID 139129876) is tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+)).
What is the SMILES notation for tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+))?
The canonical SMILES for tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+)) is FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Au+].[Au+].[Au+].
What is the InChIKey of tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+))?
The InChIKey is SZGQZMSLMSPWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5HF6N2.3Au/c3*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;/h3*1H;;;/q3*-1;3*+1.
What are the key properties of tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+))?
tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+)) has a molecular weight of 1200.10 g/mol, XLogP of 6.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(gold(1+)) is sourced from PubChem (CID 139129876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).