(Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene

C11H14F6O — CID 142659701

IUPAC(Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene
SMILESC/C=C(/CC(F)(F)C(F)(F)C(C)(F)F)O/C=C/C
InChIInChI=1S/C11H14F6O/c1-4-6-18-8(5-2)7-10(14,15)11(16,17)9(3,12)13/h4-6H,7H2,1-3H3/b6-4+,8-5-
InChIKeyPZWKCCWYTKWCKL-NDWVUGOJSA-N
MW276.22 g/mol
LogP4.76
Rot. Bonds6

About (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene

(Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene (PubChem CID 142659701) has the molecular formula C11H14F6O and a molecular weight of 276.22 g/mol. Its IUPAC name is (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene.

Molecular Properties

Compound Name(Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene
PubChem CID142659701
Molecular FormulaC11H14F6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Name(Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene
SMILESC/C=C(/CC(F)(F)C(F)(F)C(C)(F)F)O/C=C/C
InChIInChI=1S/C11H14F6O/c1-4-6-18-8(5-2)7-10(14,15)11(16,17)9(3,12)13/h4-6H,7H2,1-3H3/b6-4+,8-5-
InChIKeyPZWKCCWYTKWCKL-NDWVUGOJSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 54.76
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'}

Analyze (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene with MolForge

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Related Compounds

1-But-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene
CID 59259645
1-(4-Penten-2-yloxy)-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 86663226
1-Ethoxy-4,4-difluorocyclohexene
CID 90862971
1-Ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene
CID 90997546
1-(1,1-Difluoropropoxy)cyclohexene
CID 122448629
1,3,3,4,4,5,5-Heptafluoro-2-pent-4-enoxycyclopentene
CID 122554587
4-(Fluoromethoxy)non-3-ene
CID 123823728
1-But-1-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 140094534
1-But-3-enoxy-3,3,4,4,5,5-hexafluorocyclopentene
CID 140239887
(Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene
CID 142659696
(Z)-5,5,6,6,7,7,8,8-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene
CID 142659697
(Z)-4,4,5,5,6,6-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene
CID 142659699

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene?
The IUPAC name of (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene (CID 142659701) is (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene.
What is the SMILES notation for (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene?
The canonical SMILES for (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene is C/C=C(/CC(F)(F)C(F)(F)C(C)(F)F)O/C=C/C.
What is the InChIKey of (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene?
The InChIKey is PZWKCCWYTKWCKL-NDWVUGOJSA-N. The full InChI is InChI=1S/C11H14F6O/c1-4-6-18-8(5-2)7-10(14,15)11(16,17)9(3,12)13/h4-6H,7H2,1-3H3/b6-4+,8-5-.
What are the key properties of (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene?
(Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene has a molecular weight of 276.22 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene is sourced from PubChem (CID 142659701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).