CID 10908928

C26H28F12Fe2O3P2+2 — CID 10908928

IUPAC—
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].c1ccc(OCCOCCOc2ccccc2)cc1
InChIInChI=1S/C16H18O3.2C5H5.2F6P.2Fe/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16;2*1-2-4-5-3-1;2*1-7(2,3,4,5)6;;/h1-10H,11-14H2;2*1-5H;;;;/q;;;2*-1;2*+2
InChIKeyMTWAGOMTPBMGPM-UHFFFAOYSA-N
MW790.12 g/mol
LogP11.96
Rot. Bonds8

About CID 10908928

CID 10908928 (PubChem CID 10908928) has the molecular formula C26H28F12Fe2O3P2+2 and a molecular weight of 790.12 g/mol.

Molecular Properties

Compound NameCID 10908928
PubChem CID10908928
Molecular FormulaC26H28F12Fe2O3P2+2
Molecular Weight790.12 g/mol
Exact Mass790.00
IUPAC Name—
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].c1ccc(OCCOCCOc2ccccc2)cc1
InChIInChI=1S/C16H18O3.2C5H5.2F6P.2Fe/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16;2*1-2-4-5-3-1;2*1-7(2,3,4,5)6;;/h1-10H,11-14H2;2*1-5H;;;;/q;;;2*-1;2*+2
InChIKeyMTWAGOMTPBMGPM-UHFFFAOYSA-N
XLogP11.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.12
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 10908928?
The IUPAC name of CID 10908928 (CID 10908928) is not available.
What is the SMILES notation for CID 10908928?
The canonical SMILES for CID 10908928 is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].c1ccc(OCCOCCOc2ccccc2)cc1.
What is the InChIKey of CID 10908928?
The InChIKey is MTWAGOMTPBMGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3.2C5H5.2F6P.2Fe/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16;2*1-2-4-5-3-1;2*1-7(2,3,4,5)6;;/h1-10H,11-14H2;2*1-5H;;;;/q;;;2*-1;2*+2.
What are the key properties of CID 10908928?
CID 10908928 has a molecular weight of 790.12 g/mol, XLogP of 11.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10908928 is sourced from PubChem (CID 10908928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).