3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene

C7H5F5 — CID 57060343

IUPAC3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene
SMILESC=CC(C(=C)F)=C(F)C(F)(F)F
InChIInChI=1S/C7H5F5/c1-3-5(4(2)8)6(9)7(10,11)12/h3H,1-2H2
InChIKeyMWGWIOYIONVGQL-UHFFFAOYSA-N
MW184.11 g/mol
LogP3.44
Rot. Bonds2

About 3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene

3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene (PubChem CID 57060343) has the molecular formula C7H5F5 and a molecular weight of 184.11 g/mol. Its IUPAC name is 3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene.

Molecular Properties

Compound Name3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene
PubChem CID57060343
Molecular FormulaC7H5F5
Molecular Weight184.11 g/mol
Exact Mass184.03
IUPAC Name3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene
SMILESC=CC(C(=C)F)=C(F)C(F)(F)F
InChIInChI=1S/C7H5F5/c1-3-5(4(2)8)6(9)7(10,11)12/h3H,1-2H2
InChIKeyMWGWIOYIONVGQL-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene?
The IUPAC name of 3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene (CID 57060343) is 3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene.
What is the SMILES notation for 3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene?
The canonical SMILES for 3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene is C=CC(C(=C)F)=C(F)C(F)(F)F.
What is the InChIKey of 3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene?
The InChIKey is MWGWIOYIONVGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5/c1-3-5(4(2)8)6(9)7(10,11)12/h3H,1-2H2.
What are the key properties of 3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene?
3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene has a molecular weight of 184.11 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene is sourced from PubChem (CID 57060343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).