CID 11102919

C15H18ClF6FeO3P+ — CID 11102919

IUPAC—
SMILESF[P-](F)(F)(F)(F)F.OCCOCCOc1cccc(Cl)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C10H13ClO3.C5H5.F6P.Fe/c11-9-2-1-3-10(8-9)14-7-6-13-5-4-12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-3,8,12H,4-7H2;1-5H;;/q;;-1;+2
InChIKeyGPQZLLHFLKHUPX-UHFFFAOYSA-N
MW482.57 g/mol
LogP6.13
Rot. Bonds6

About CID 11102919

CID 11102919 (PubChem CID 11102919) has the molecular formula C15H18ClF6FeO3P+ and a molecular weight of 482.57 g/mol.

Molecular Properties

Compound NameCID 11102919
PubChem CID11102919
Molecular FormulaC15H18ClF6FeO3P+
Molecular Weight482.57 g/mol
Exact Mass481.99
IUPAC Name—
SMILESF[P-](F)(F)(F)(F)F.OCCOCCOc1cccc(Cl)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C10H13ClO3.C5H5.F6P.Fe/c11-9-2-1-3-10(8-9)14-7-6-13-5-4-12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-3,8,12H,4-7H2;1-5H;;/q;;-1;+2
InChIKeyGPQZLLHFLKHUPX-UHFFFAOYSA-N
XLogP6.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 56.13
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of CID 11102919?
The IUPAC name of CID 11102919 (CID 11102919) is not available.
What is the SMILES notation for CID 11102919?
The canonical SMILES for CID 11102919 is F[P-](F)(F)(F)(F)F.OCCOCCOc1cccc(Cl)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11102919?
The InChIKey is GPQZLLHFLKHUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3.C5H5.F6P.Fe/c11-9-2-1-3-10(8-9)14-7-6-13-5-4-12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-3,8,12H,4-7H2;1-5H;;/q;;-1;+2.
What are the key properties of CID 11102919?
CID 11102919 has a molecular weight of 482.57 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11102919 is sourced from PubChem (CID 11102919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).