1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene

C7H5F9O — CID 175759824

IUPAC1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene
SMILESCCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c1-2-17-6(12,13)4(9)3(8)5(10,11)7(14,15)16/h2H2,1H3
InChIKeyVVNFVGXXAOZCBH-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.96
Rot. Bonds4

About 1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene

1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene (PubChem CID 175759824) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene.

Molecular Properties

Compound Name1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene
PubChem CID175759824
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene
SMILESCCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c1-2-17-6(12,13)4(9)3(8)5(10,11)7(14,15)16/h2H2,1H3
InChIKeyVVNFVGXXAOZCBH-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene?
The IUPAC name of 1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene (CID 175759824) is 1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene.
What is the SMILES notation for 1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene?
The canonical SMILES for 1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene is CCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene?
The InChIKey is VVNFVGXXAOZCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c1-2-17-6(12,13)4(9)3(8)5(10,11)7(14,15)16/h2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene?
1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene has a molecular weight of 276.10 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene is sourced from PubChem (CID 175759824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).