[(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene

C12H6F10N2 — CID 12936273

IUPAC[(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene
SMILESFC(=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/N=N/c1ccccc1
InChIInChI=1S/C12H6F10N2/c13-8(24-23-7-4-2-1-3-5-7)6-9(14,15)10(16,17)11(18,19)12(20,21)22/h1-6H/b8-6+,24-23+
InChIKeyJOWPXMAUEOKKOT-FYTAZISXSA-N
MW368.17 g/mol
LogP6.05
Rot. Bonds5

About [(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene

[(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene (PubChem CID 12936273) has the molecular formula C12H6F10N2 and a molecular weight of 368.17 g/mol. Its IUPAC name is [(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene.

Molecular Properties

Compound Name[(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene
PubChem CID12936273
Molecular FormulaC12H6F10N2
Molecular Weight368.17 g/mol
Exact Mass368.04
IUPAC Name[(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene
SMILESFC(=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/N=N/c1ccccc1
InChIInChI=1S/C12H6F10N2/c13-8(24-23-7-4-2-1-3-5-7)6-9(14,15)10(16,17)11(18,19)12(20,21)22/h1-6H/b8-6+,24-23+
InChIKeyJOWPXMAUEOKKOT-FYTAZISXSA-N
XLogP6.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.17
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene?
The IUPAC name of [(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene (CID 12936273) is [(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene.
What is the SMILES notation for [(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene?
The canonical SMILES for [(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene is FC(=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/N=N/c1ccccc1.
What is the InChIKey of [(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene?
The InChIKey is JOWPXMAUEOKKOT-FYTAZISXSA-N. The full InChI is InChI=1S/C12H6F10N2/c13-8(24-23-7-4-2-1-3-5-7)6-9(14,15)10(16,17)11(18,19)12(20,21)22/h1-6H/b8-6+,24-23+.
What are the key properties of [(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene?
[(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene has a molecular weight of 368.17 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,3,3,4,4,5,5,6,6,6-decafluorohex-1-enyl]-phenyldiazene is sourced from PubChem (CID 12936273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).