CID 10927715

C10H9F6FeO5P- — CID 10927715

IUPAC—
SMILESF[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2][CH][CH][CH][CH]C(=O)OC.[Fe]
InChIInChI=1S/C7H9O2.3CO.F6P.Fe/c1-3-4-5-6-7(8)9-2;3*1-2;1-7(2,3,4,5)6;/h3-6H,1H2,2H3;;;;;/q;;;;-1;
InChIKeyDTVHLFXLBXDSTI-UHFFFAOYSA-N
MW409.98 g/mol
LogP4.08
Rot. Bonds4

About CID 10927715

CID 10927715 (PubChem CID 10927715) has the molecular formula C10H9F6FeO5P- and a molecular weight of 409.98 g/mol.

Molecular Properties

Compound NameCID 10927715
PubChem CID10927715
Molecular FormulaC10H9F6FeO5P-
Molecular Weight409.98 g/mol
Exact Mass409.94
IUPAC Name—
SMILESF[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2][CH][CH][CH][CH]C(=O)OC.[Fe]
InChIInChI=1S/C7H9O2.3CO.F6P.Fe/c1-3-4-5-6-7(8)9-2;3*1-2;1-7(2,3,4,5)6;/h3-6H,1H2,2H3;;;;;/q;;;;-1;
InChIKeyDTVHLFXLBXDSTI-UHFFFAOYSA-N
XLogP4.08
TPSA86.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.98
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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 10927715?
The IUPAC name of CID 10927715 (CID 10927715) is not available.
What is the SMILES notation for CID 10927715?
The canonical SMILES for CID 10927715 is F[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2][CH][CH][CH][CH]C(=O)OC.[Fe].
What is the InChIKey of CID 10927715?
The InChIKey is DTVHLFXLBXDSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2.3CO.F6P.Fe/c1-3-4-5-6-7(8)9-2;3*1-2;1-7(2,3,4,5)6;/h3-6H,1H2,2H3;;;;;/q;;;;-1;.
What are the key properties of CID 10927715?
CID 10927715 has a molecular weight of 409.98 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10927715 is sourced from PubChem (CID 10927715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).