CID 173192844

C30H22Cl2F6O2SiZr — CID 173192844

IUPAC—
SMILESC[Si]C.Cl[Zr+2]Cl.FC(F)(F)c1cc2c(-c3ccco3)cccc2[cH-]1.FC(F)(F)c1cc2c(-c3ccco3)cccc2[cH-]1
InChIInChI=1S/2C14H8F3O.C2H6Si.2ClH.Zr/c2*15-14(16,17)10-7-9-3-1-4-11(12(9)8-10)13-5-2-6-18-13;1-3-2;;;/h2*1-8H;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyIOYRHNJGYQVTEH-UHFFFAOYSA-L
MW718.71 g/mol
LogP11.84
Rot. Bonds2

About CID 173192844

CID 173192844 (PubChem CID 173192844) has the molecular formula C30H22Cl2F6O2SiZr and a molecular weight of 718.71 g/mol.

Molecular Properties

Compound NameCID 173192844
PubChem CID173192844
Molecular FormulaC30H22Cl2F6O2SiZr
Molecular Weight718.71 g/mol
Exact Mass715.97
IUPAC Name—
SMILESC[Si]C.Cl[Zr+2]Cl.FC(F)(F)c1cc2c(-c3ccco3)cccc2[cH-]1.FC(F)(F)c1cc2c(-c3ccco3)cccc2[cH-]1
InChIInChI=1S/2C14H8F3O.C2H6Si.2ClH.Zr/c2*15-14(16,17)10-7-9-3-1-4-11(12(9)8-10)13-5-2-6-18-13;1-3-2;;;/h2*1-8H;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyIOYRHNJGYQVTEH-UHFFFAOYSA-L
XLogP11.84
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.71
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173192844?
The IUPAC name of CID 173192844 (CID 173192844) is not available.
What is the SMILES notation for CID 173192844?
The canonical SMILES for CID 173192844 is C[Si]C.Cl[Zr+2]Cl.FC(F)(F)c1cc2c(-c3ccco3)cccc2[cH-]1.FC(F)(F)c1cc2c(-c3ccco3)cccc2[cH-]1.
What is the InChIKey of CID 173192844?
The InChIKey is IOYRHNJGYQVTEH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H8F3O.C2H6Si.2ClH.Zr/c2*15-14(16,17)10-7-9-3-1-4-11(12(9)8-10)13-5-2-6-18-13;1-3-2;;;/h2*1-8H;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173192844?
CID 173192844 has a molecular weight of 718.71 g/mol, XLogP of 11.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173192844 is sourced from PubChem (CID 173192844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).