phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene

C9H6F4N2 — CID 12936272

IUPACphenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene
SMILESFC(=C\C(F)(F)F)/N=N/c1ccccc1
InChIInChI=1S/C9H6F4N2/c10-8(6-9(11,12)13)15-14-7-4-2-1-3-5-7/h1-6H/b8-6+,15-14+
InChIKeyLKXSQZKHAGHWKK-CGOUGSLNSA-N
MW218.15 g/mol
LogP4.14
Rot. Bonds2

About phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene

phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene (PubChem CID 12936272) has the molecular formula C9H6F4N2 and a molecular weight of 218.15 g/mol. Its IUPAC name is phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene.

Molecular Properties

Compound Namephenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene
PubChem CID12936272
Molecular FormulaC9H6F4N2
Molecular Weight218.15 g/mol
Exact Mass218.05
IUPAC Namephenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene
SMILESFC(=C\C(F)(F)F)/N=N/c1ccccc1
InChIInChI=1S/C9H6F4N2/c10-8(6-9(11,12)13)15-14-7-4-2-1-3-5-7/h1-6H/b8-6+,15-14+
InChIKeyLKXSQZKHAGHWKK-CGOUGSLNSA-N
XLogP4.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 54.14
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'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene?
The IUPAC name of phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene (CID 12936272) is phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene.
What is the SMILES notation for phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene?
The canonical SMILES for phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene is FC(=C\C(F)(F)F)/N=N/c1ccccc1.
What is the InChIKey of phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene?
The InChIKey is LKXSQZKHAGHWKK-CGOUGSLNSA-N. The full InChI is InChI=1S/C9H6F4N2/c10-8(6-9(11,12)13)15-14-7-4-2-1-3-5-7/h1-6H/b8-6+,15-14+.
What are the key properties of phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene?
phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene has a molecular weight of 218.15 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]diazene is sourced from PubChem (CID 12936272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).