CID 134907146

C17H19F6N2PRu — CID 134907146

IUPAC—
SMILESF[P-](F)(F)(F)(F)F.[CH]1C=CC=C1.[Ru+].c1cc(N2CCCC2)c2[nH]ccc2c1
InChIInChI=1S/C12H14N2.C5H5.F6P.Ru/c1-2-9-14(8-1)11-5-3-4-10-6-7-13-12(10)11;1-2-4-5-3-1;1-7(2,3,4,5)6;/h3-7,13H,1-2,8-9H2;1-5H;;/q;;-1;+1
InChIKeyWEYRSHGFUHAPHN-UHFFFAOYSA-N
MW497.39 g/mol
LogP7.46
Rot. Bonds1

About CID 134907146

CID 134907146 (PubChem CID 134907146) has the molecular formula C17H19F6N2PRu and a molecular weight of 497.39 g/mol.

Molecular Properties

Compound NameCID 134907146
PubChem CID134907146
Molecular FormulaC17H19F6N2PRu
Molecular Weight497.39 g/mol
Exact Mass498.02
IUPAC Name—
SMILESF[P-](F)(F)(F)(F)F.[CH]1C=CC=C1.[Ru+].c1cc(N2CCCC2)c2[nH]ccc2c1
InChIInChI=1S/C12H14N2.C5H5.F6P.Ru/c1-2-9-14(8-1)11-5-3-4-10-6-7-13-12(10)11;1-2-4-5-3-1;1-7(2,3,4,5)6;/h3-7,13H,1-2,8-9H2;1-5H;;/q;;-1;+1
InChIKeyWEYRSHGFUHAPHN-UHFFFAOYSA-N
XLogP7.46
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134907146?
The IUPAC name of CID 134907146 (CID 134907146) is not available.
What is the SMILES notation for CID 134907146?
The canonical SMILES for CID 134907146 is F[P-](F)(F)(F)(F)F.[CH]1C=CC=C1.[Ru+].c1cc(N2CCCC2)c2[nH]ccc2c1.
What is the InChIKey of CID 134907146?
The InChIKey is WEYRSHGFUHAPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C5H5.F6P.Ru/c1-2-9-14(8-1)11-5-3-4-10-6-7-13-12(10)11;1-2-4-5-3-1;1-7(2,3,4,5)6;/h3-7,13H,1-2,8-9H2;1-5H;;/q;;-1;+1.
What are the key properties of CID 134907146?
CID 134907146 has a molecular weight of 497.39 g/mol, XLogP of 7.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134907146 is sourced from PubChem (CID 134907146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).