hexakis(carbonofluoridic acid);toluene;hexahydroiodide

C20H28F6I6O12 — CID 175363769

IUPAChexakis(carbonofluoridic acid);toluene;hexahydroiodide
SMILESCc1ccccc1.Cc1ccccc1.I.I.I.I.I.I.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/2C7H8.6CHFO2.6HI/c2*1-7-5-3-2-4-6-7;6*2-1(3)4;;;;;;/h2*2-6H,1H3;6*(H,3,4);6*1H
InChIKeyDEEWMYZOBHGKTI-UHFFFAOYSA-N
MW1335.84 g/mol
LogP11.50
Rot. Bonds

About hexakis(carbonofluoridic acid);toluene;hexahydroiodide

hexakis(carbonofluoridic acid);toluene;hexahydroiodide (PubChem CID 175363769) has the molecular formula C20H28F6I6O12 and a molecular weight of 1335.84 g/mol. Its IUPAC name is hexakis(carbonofluoridic acid);toluene;hexahydroiodide.

Molecular Properties

Compound Namehexakis(carbonofluoridic acid);toluene;hexahydroiodide
PubChem CID175363769
Molecular FormulaC20H28F6I6O12
Molecular Weight1335.84 g/mol
Exact Mass1335.58
IUPAC Namehexakis(carbonofluoridic acid);toluene;hexahydroiodide
SMILESCc1ccccc1.Cc1ccccc1.I.I.I.I.I.I.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/2C7H8.6CHFO2.6HI/c2*1-7-5-3-2-4-6-7;6*2-1(3)4;;;;;;/h2*2-6H,1H3;6*(H,3,4);6*1H
InChIKeyDEEWMYZOBHGKTI-UHFFFAOYSA-N
XLogP11.50
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001335.84
LogP ≤ 511.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexakis(carbonofluoridic acid);toluene;hexahydroiodide?
The IUPAC name of hexakis(carbonofluoridic acid);toluene;hexahydroiodide (CID 175363769) is hexakis(carbonofluoridic acid);toluene;hexahydroiodide.
What is the SMILES notation for hexakis(carbonofluoridic acid);toluene;hexahydroiodide?
The canonical SMILES for hexakis(carbonofluoridic acid);toluene;hexahydroiodide is Cc1ccccc1.Cc1ccccc1.I.I.I.I.I.I.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.
What is the InChIKey of hexakis(carbonofluoridic acid);toluene;hexahydroiodide?
The InChIKey is DEEWMYZOBHGKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.6CHFO2.6HI/c2*1-7-5-3-2-4-6-7;6*2-1(3)4;;;;;;/h2*2-6H,1H3;6*(H,3,4);6*1H.
What are the key properties of hexakis(carbonofluoridic acid);toluene;hexahydroiodide?
hexakis(carbonofluoridic acid);toluene;hexahydroiodide has a molecular weight of 1335.84 g/mol, XLogP of 11.50, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(carbonofluoridic acid);toluene;hexahydroiodide is sourced from PubChem (CID 175363769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).