iron(2+);bis(1,3-xylene);dihexafluorophosphate

C16H20F12FeP2 — CID 139156518

IUPACiron(2+);bis(1,3-xylene);dihexafluorophosphate
SMILESCc1cccc(C)c1.Cc1cccc(C)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2]
InChIInChI=1S/2C8H10.2F6P.Fe/c2*1-7-4-3-5-8(2)6-7;2*1-7(2,3,4,5)6;/h2*3-6H,1-2H3;;;/q;;2*-1;+2
InChIKeySVOMRPZXTCKAQL-UHFFFAOYSA-N
MW558.10 g/mol
LogP11.37
Rot. Bonds

About iron(2+);bis(1,3-xylene);dihexafluorophosphate

iron(2+);bis(1,3-xylene);dihexafluorophosphate (PubChem CID 139156518) has the molecular formula C16H20F12FeP2 and a molecular weight of 558.10 g/mol. Its IUPAC name is iron(2+);bis(1,3-xylene);dihexafluorophosphate.

Molecular Properties

Compound Nameiron(2+);bis(1,3-xylene);dihexafluorophosphate
PubChem CID139156518
Molecular FormulaC16H20F12FeP2
Molecular Weight558.10 g/mol
Exact Mass558.02
IUPAC Nameiron(2+);bis(1,3-xylene);dihexafluorophosphate
SMILESCc1cccc(C)c1.Cc1cccc(C)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2]
InChIInChI=1S/2C8H10.2F6P.Fe/c2*1-7-4-3-5-8(2)6-7;2*1-7(2,3,4,5)6;/h2*3-6H,1-2H3;;;/q;;2*-1;+2
InChIKeySVOMRPZXTCKAQL-UHFFFAOYSA-N
XLogP11.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.10
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178
azane;1,3-xylene;hydrochloride
CID 175000695
ethane;methane;1,3-xylene
CID 145463381
methane;1,3-xylene;1,4-xylene
CID 161051420
ethane;methanol;1,3-xylene
CID 156743127
ethane;1,3-xylene;1,4-xylene
CID 145425556
ethane;propane;1,3-xylene
CID 144528046
carbon dioxide;1,3-xylene
CID 160806691
dioxoosmium;1,3-xylene
CID 57347095

Frequently Asked Questions

What is the IUPAC name of iron(2+);bis(1,3-xylene);dihexafluorophosphate?
The IUPAC name of iron(2+);bis(1,3-xylene);dihexafluorophosphate (CID 139156518) is iron(2+);bis(1,3-xylene);dihexafluorophosphate.
What is the SMILES notation for iron(2+);bis(1,3-xylene);dihexafluorophosphate?
The canonical SMILES for iron(2+);bis(1,3-xylene);dihexafluorophosphate is Cc1cccc(C)c1.Cc1cccc(C)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2].
What is the InChIKey of iron(2+);bis(1,3-xylene);dihexafluorophosphate?
The InChIKey is SVOMRPZXTCKAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.2F6P.Fe/c2*1-7-4-3-5-8(2)6-7;2*1-7(2,3,4,5)6;/h2*3-6H,1-2H3;;;/q;;2*-1;+2.
What are the key properties of iron(2+);bis(1,3-xylene);dihexafluorophosphate?
iron(2+);bis(1,3-xylene);dihexafluorophosphate has a molecular weight of 558.10 g/mol, XLogP of 11.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);bis(1,3-xylene);dihexafluorophosphate is sourced from PubChem (CID 139156518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).