[1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene

C11H5F9O — CID 71414201

IUPAC[1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene
SMILESFC(OC(F)(F)C(F)(F)C(F)(F)F)=C(F)c1ccccc1
InChIInChI=1S/C11H5F9O/c12-7(6-4-2-1-3-5-6)8(13)21-11(19,20)9(14,15)10(16,17)18/h1-5H
InChIKeyFVBNTOULJJXFBP-UHFFFAOYSA-N
MW324.14 g/mol
LogP5.06
Rot. Bonds4

About [1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene

[1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene (PubChem CID 71414201) has the molecular formula C11H5F9O and a molecular weight of 324.14 g/mol. Its IUPAC name is [1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene.

Molecular Properties

Compound Name[1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene
PubChem CID71414201
Molecular FormulaC11H5F9O
Molecular Weight324.14 g/mol
Exact Mass324.02
IUPAC Name[1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene
SMILESFC(OC(F)(F)C(F)(F)C(F)(F)F)=C(F)c1ccccc1
InChIInChI=1S/C11H5F9O/c12-7(6-4-2-1-3-5-6)8(13)21-11(19,20)9(14,15)10(16,17)18/h1-5H
InChIKeyFVBNTOULJJXFBP-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.14
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene?
The IUPAC name of [1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene (CID 71414201) is [1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene.
What is the SMILES notation for [1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene?
The canonical SMILES for [1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene is FC(OC(F)(F)C(F)(F)C(F)(F)F)=C(F)c1ccccc1.
What is the InChIKey of [1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene?
The InChIKey is FVBNTOULJJXFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F9O/c12-7(6-4-2-1-3-5-6)8(13)21-11(19,20)9(14,15)10(16,17)18/h1-5H.
What are the key properties of [1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene?
[1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene has a molecular weight of 324.14 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene is sourced from PubChem (CID 71414201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).