CID 134907069

C18H21F6N2PRu — CID 134907069

IUPAC—
SMILESF[P-](F)(F)(F)(F)F.[CH]1C=CC=C1.[Ru+].c1cc2cc(N3CCCCC3)ccc2[nH]1
InChIInChI=1S/C13H16N2.C5H5.F6P.Ru/c1-2-8-15(9-3-1)12-4-5-13-11(10-12)6-7-14-13;1-2-4-5-3-1;1-7(2,3,4,5)6;/h4-7,10,14H,1-3,8-9H2;1-5H;;/q;;-1;+1
InChIKeyNFAZRFSTYZXAKM-UHFFFAOYSA-N
MW511.41 g/mol
LogP7.85
Rot. Bonds1

About CID 134907069

CID 134907069 (PubChem CID 134907069) has the molecular formula C18H21F6N2PRu and a molecular weight of 511.41 g/mol.

Molecular Properties

Compound NameCID 134907069
PubChem CID134907069
Molecular FormulaC18H21F6N2PRu
Molecular Weight511.41 g/mol
Exact Mass512.04
IUPAC Name—
SMILESF[P-](F)(F)(F)(F)F.[CH]1C=CC=C1.[Ru+].c1cc2cc(N3CCCCC3)ccc2[nH]1
InChIInChI=1S/C13H16N2.C5H5.F6P.Ru/c1-2-8-15(9-3-1)12-4-5-13-11(10-12)6-7-14-13;1-2-4-5-3-1;1-7(2,3,4,5)6;/h4-7,10,14H,1-3,8-9H2;1-5H;;/q;;-1;+1
InChIKeyNFAZRFSTYZXAKM-UHFFFAOYSA-N
XLogP7.85
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.41
LogP ≤ 57.85
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 134907069?
The IUPAC name of CID 134907069 (CID 134907069) is not available.
What is the SMILES notation for CID 134907069?
The canonical SMILES for CID 134907069 is F[P-](F)(F)(F)(F)F.[CH]1C=CC=C1.[Ru+].c1cc2cc(N3CCCCC3)ccc2[nH]1.
What is the InChIKey of CID 134907069?
The InChIKey is NFAZRFSTYZXAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C5H5.F6P.Ru/c1-2-8-15(9-3-1)12-4-5-13-11(10-12)6-7-14-13;1-2-4-5-3-1;1-7(2,3,4,5)6;/h4-7,10,14H,1-3,8-9H2;1-5H;;/q;;-1;+1.
What are the key properties of CID 134907069?
CID 134907069 has a molecular weight of 511.41 g/mol, XLogP of 7.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134907069 is sourced from PubChem (CID 134907069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).