(E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene

C7H5F9O — CID 12756899

IUPAC(E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene
SMILESCCO/C(=C(/F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c1-2-17-4(6(11,12)13)3(8)5(9,10)7(14,15)16/h2H2,1H3/b4-3+
InChIKeyHDVDSUVGAOKZGW-ONEGZZNKSA-N
MW276.10 g/mol
LogP3.96
Rot. Bonds3

About (E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene

(E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene (PubChem CID 12756899) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is (E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene.

Molecular Properties

Compound Name(E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene
PubChem CID12756899
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name(E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene
SMILESCCO/C(=C(/F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c1-2-17-4(6(11,12)13)3(8)5(9,10)7(14,15)16/h2H2,1H3/b4-3+
InChIKeyHDVDSUVGAOKZGW-ONEGZZNKSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': '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 (E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene?
The IUPAC name of (E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene (CID 12756899) is (E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene.
What is the SMILES notation for (E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene?
The canonical SMILES for (E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene is CCO/C(=C(/F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene?
The InChIKey is HDVDSUVGAOKZGW-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H5F9O/c1-2-17-4(6(11,12)13)3(8)5(9,10)7(14,15)16/h2H2,1H3/b4-3+.
What are the key properties of (E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene?
(E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene has a molecular weight of 276.10 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene is sourced from PubChem (CID 12756899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).