cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane)

C6CdF14 — CID 86104744

IUPACcadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane)
SMILESF[C-](C(F)(F)F)C(F)(F)F.F[C-](C(F)(F)F)C(F)(F)F.[Cd+2]
InChIInChI=1S/2C3F7.Cd/c2*4-1(2(5,6)7)3(8,9)10;/q2*-1;+2
InChIKeyQJLPEVMCJYDDQJ-UHFFFAOYSA-N
MW450.45 g/mol
LogP5.22
Rot. Bonds

About cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane)

cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane) (PubChem CID 86104744) has the molecular formula C6CdF14 and a molecular weight of 450.45 g/mol. Its IUPAC name is cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane).

Molecular Properties

Compound Namecadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane)
PubChem CID86104744
Molecular FormulaC6CdF14
Molecular Weight450.45 g/mol
Exact Mass451.88
IUPAC Namecadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane)
SMILESF[C-](C(F)(F)F)C(F)(F)F.F[C-](C(F)(F)F)C(F)(F)F.[Cd+2]
InChIInChI=1S/2C3F7.Cd/c2*4-1(2(5,6)7)3(8,9)10;/q2*-1;+2
InChIKeyQJLPEVMCJYDDQJ-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.45
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane)?
The IUPAC name of cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane) (CID 86104744) is cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane).
What is the SMILES notation for cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane)?
The canonical SMILES for cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane) is F[C-](C(F)(F)F)C(F)(F)F.F[C-](C(F)(F)F)C(F)(F)F.[Cd+2].
What is the InChIKey of cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane)?
The InChIKey is QJLPEVMCJYDDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3F7.Cd/c2*4-1(2(5,6)7)3(8,9)10;/q2*-1;+2.
What are the key properties of cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane)?
cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane) has a molecular weight of 450.45 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(1,1,1,2,3,3,3-heptafluoropropane) is sourced from PubChem (CID 86104744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).