(E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene

C12H20F4O — CID 146747964

IUPAC(E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene
SMILESCCCOCCC/C=C/CCC(F)(F)C(F)F
InChIInChI=1S/C12H20F4O/c1-2-9-17-10-7-5-3-4-6-8-12(15,16)11(13)14/h3-4,11H,2,5-10H2,1H3/b4-3+
InChIKeyRMLWZUQLCNZPHI-ONEGZZNKSA-N
MW256.28 g/mol
LogP4.43
Rot. Bonds10

About (E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene

(E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene (PubChem CID 146747964) has the molecular formula C12H20F4O and a molecular weight of 256.28 g/mol. Its IUPAC name is (E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene.

Molecular Properties

Compound Name(E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene
PubChem CID146747964
Molecular FormulaC12H20F4O
Molecular Weight256.28 g/mol
Exact Mass256.15
IUPAC Name(E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene
SMILESCCCOCCC/C=C/CCC(F)(F)C(F)F
InChIInChI=1S/C12H20F4O/c1-2-9-17-10-7-5-3-4-6-8-12(15,16)11(13)14/h3-4,11H,2,5-10H2,1H3/b4-3+
InChIKeyRMLWZUQLCNZPHI-ONEGZZNKSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene?
The IUPAC name of (E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene (CID 146747964) is (E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene.
What is the SMILES notation for (E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene?
The canonical SMILES for (E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene is CCCOCCC/C=C/CCC(F)(F)C(F)F.
What is the InChIKey of (E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene?
The InChIKey is RMLWZUQLCNZPHI-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H20F4O/c1-2-9-17-10-7-5-3-4-6-8-12(15,16)11(13)14/h3-4,11H,2,5-10H2,1H3/b4-3+.
What are the key properties of (E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene?
(E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene has a molecular weight of 256.28 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8,8,9,9-tetrafluoro-1-propoxynon-4-ene is sourced from PubChem (CID 146747964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).