2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate

C7F11O3- — CID 162679402

IUPAC2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate
SMILESO=C([O-])C(F)(F)OC(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C7HF11O3/c8-1(2(9)5(12,13)14)4(10,11)7(17,18)21-6(15,16)3(19)20/h(H,19,20)/p-1/b2-1+
InChIKeyNAUFVZVWCKCVPL-OWOJBTEDSA-M
MW341.05 g/mol
LogP2.29
Rot. Bonds5

About 2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate

2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate (PubChem CID 162679402) has the molecular formula C7F11O3- and a molecular weight of 341.05 g/mol. Its IUPAC name is 2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate.

Molecular Properties

Compound Name2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate
PubChem CID162679402
Molecular FormulaC7F11O3-
Molecular Weight341.05 g/mol
Exact Mass340.97
IUPAC Name2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate
SMILESO=C([O-])C(F)(F)OC(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C7HF11O3/c8-1(2(9)5(12,13)14)4(10,11)7(17,18)21-6(15,16)3(19)20/h(H,19,20)/p-1/b2-1+
InChIKeyNAUFVZVWCKCVPL-OWOJBTEDSA-M
XLogP2.29
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.05
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate?
The IUPAC name of 2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate (CID 162679402) is 2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate.
What is the SMILES notation for 2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate?
The canonical SMILES for 2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate is O=C([O-])C(F)(F)OC(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of 2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate?
The InChIKey is NAUFVZVWCKCVPL-OWOJBTEDSA-M. The full InChI is InChI=1S/C7HF11O3/c8-1(2(9)5(12,13)14)4(10,11)7(17,18)21-6(15,16)3(19)20/h(H,19,20)/p-1/b2-1+.
What are the key properties of 2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate?
2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate has a molecular weight of 341.05 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate is sourced from PubChem (CID 162679402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).