sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate

C6H4F6NNaO — CID 100988569

IUPACsodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate
SMILESC/N=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Na+]
InChIInChI=1S/C6H5F6NO.Na/c1-13-3(5(7,8)9)2-4(14)6(10,11)12;/h2,14H,1H3;/q;+1/p-1/b4-2-,13-3-;
InChIKeyRIBWEYRQIWLLSS-LQQHKDOPSA-M
MW243.08 g/mol
LogP-1.57
Rot. Bonds1

About sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate

sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate (PubChem CID 100988569) has the molecular formula C6H4F6NNaO and a molecular weight of 243.08 g/mol. Its IUPAC name is sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate.

Molecular Properties

Compound Namesodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate
PubChem CID100988569
Molecular FormulaC6H4F6NNaO
Molecular Weight243.08 g/mol
Exact Mass243.01
IUPAC Namesodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate
SMILESC/N=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Na+]
InChIInChI=1S/C6H5F6NO.Na/c1-13-3(5(7,8)9)2-4(14)6(10,11)12;/h2,14H,1H3;/q;+1/p-1/b4-2-,13-3-;
InChIKeyRIBWEYRQIWLLSS-LQQHKDOPSA-M
XLogP-1.57
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 59782164
1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 72560388
sodium (Z)-1,1,1,5,5,5-hexafluoro-4-prop-2-enyliminopent-2-en-2-olate
CID 100988570
sodium (Z)-4-butylimino-1,1,1,5,5,5-hexafluoropent-2-en-2-olate
CID 100988572

Frequently Asked Questions

What is the IUPAC name of sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate?
The IUPAC name of sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate (CID 100988569) is sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate.
What is the SMILES notation for sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate?
The canonical SMILES for sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate is C/N=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Na+].
What is the InChIKey of sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate?
The InChIKey is RIBWEYRQIWLLSS-LQQHKDOPSA-M. The full InChI is InChI=1S/C6H5F6NO.Na/c1-13-3(5(7,8)9)2-4(14)6(10,11)12;/h2,14H,1H3;/q;+1/p-1/b4-2-,13-3-;.
What are the key properties of sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate?
sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate has a molecular weight of 243.08 g/mol, XLogP of -1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate is sourced from PubChem (CID 100988569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).