(Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene

C12H14F8O — CID 142659696

IUPAC(Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene
SMILESC/C=C(\O/C=C/C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC
InChIInChI=1S/C12H14F8O/c1-4-7-21-8(5-2)10(15,16)12(19,20)11(17,18)9(13,14)6-3/h4-5,7H,6H2,1-3H3/b7-4+,8-5-
InChIKeyFZFWTEIKRHKZJK-NIQPXEJBSA-N
MW326.23 g/mol
LogP5.39
Rot. Bonds7

About (Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene

(Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene (PubChem CID 142659696) has the molecular formula C12H14F8O and a molecular weight of 326.23 g/mol. Its IUPAC name is (Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene.

Molecular Properties

Compound Name(Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene
PubChem CID142659696
Molecular FormulaC12H14F8O
Molecular Weight326.23 g/mol
Exact Mass326.09
IUPAC Name(Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene
SMILESC/C=C(\O/C=C/C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC
InChIInChI=1S/C12H14F8O/c1-4-7-21-8(5-2)10(15,16)12(19,20)11(17,18)9(13,14)6-3/h4-5,7H,6H2,1-3H3/b7-4+,8-5-
InChIKeyFZFWTEIKRHKZJK-NIQPXEJBSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.23
LogP ≤ 55.39
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)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene with MolForge

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Related Compounds

1-Ethoxy-4,4-difluorocyclohexene
CID 90862971
(1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene
CID 122535644
1-But-1-enoxy-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 140094534
(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
(Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene
CID 142659701
3-Ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene
CID 173333925
(E)-1,1,1-trifluoro-12-methoxydodec-3-ene
CID 102340127
(E)-3-[(E)-prop-1-enoxy]non-2-ene
CID 142659698

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene?
The IUPAC name of (Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene (CID 142659696) is (Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene.
What is the SMILES notation for (Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene?
The canonical SMILES for (Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene is C/C=C(\O/C=C/C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC.
What is the InChIKey of (Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene?
The InChIKey is FZFWTEIKRHKZJK-NIQPXEJBSA-N. The full InChI is InChI=1S/C12H14F8O/c1-4-7-21-8(5-2)10(15,16)12(19,20)11(17,18)9(13,14)6-3/h4-5,7H,6H2,1-3H3/b7-4+,8-5-.
What are the key properties of (Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene?
(Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene has a molecular weight of 326.23 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,5,5,6,6,7,7-octafluoro-3-[(E)-prop-1-enoxy]non-2-ene is sourced from PubChem (CID 142659696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).