(E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene

C11H11F11O — CID 97290876

IUPAC(E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene
SMILESCCCC/C=C/[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F11O/c1-2-3-4-5-6-7(12,9(15,16)17)23-11(21,22)8(13,14)10(18,19)20/h5-6H,2-4H2,1H3/b6-5+/t7-/m0/s1
InChIKeyVTQJUMDFJZMYAO-XPPMVYLVSA-N
MW368.19 g/mol
LogP5.77
Rot. Bonds7

About (E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene

(E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene (PubChem CID 97290876) has the molecular formula C11H11F11O and a molecular weight of 368.19 g/mol. Its IUPAC name is (E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene.

Molecular Properties

Compound Name(E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene
PubChem CID97290876
Molecular FormulaC11H11F11O
Molecular Weight368.19 g/mol
Exact Mass368.06
IUPAC Name(E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene
SMILESCCCC/C=C/[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F11O/c1-2-3-4-5-6-7(12,9(15,16)17)23-11(21,22)8(13,14)10(18,19)20/h5-6H,2-4H2,1H3/b6-5+/t7-/m0/s1
InChIKeyVTQJUMDFJZMYAO-XPPMVYLVSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.19
LogP ≤ 55.77
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,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene?
The IUPAC name of (E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene (CID 97290876) is (E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene.
What is the SMILES notation for (E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene?
The canonical SMILES for (E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene is CCCC/C=C/[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene?
The InChIKey is VTQJUMDFJZMYAO-XPPMVYLVSA-N. The full InChI is InChI=1S/C11H11F11O/c1-2-3-4-5-6-7(12,9(15,16)17)23-11(21,22)8(13,14)10(18,19)20/h5-6H,2-4H2,1H3/b6-5+/t7-/m0/s1.
What are the key properties of (E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene?
(E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene has a molecular weight of 368.19 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene is sourced from PubChem (CID 97290876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).