(Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one

C10H8F6O4 — CID 166460707

IUPAC(Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one
SMILESCC(=O)/C=C(/C)OO/C(=C\C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6O4/c1-5(17)3-6(2)19-20-8(10(14,15)16)4-7(18)9(11,12)13/h3-4H,1-2H3/b6-3-,8-4-
InChIKeyVUOXEDYNDOZZAA-IJXUMNLFSA-N
MW306.16 g/mol
LogP3.01
Rot. Bonds5

About (Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one

(Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one (PubChem CID 166460707) has the molecular formula C10H8F6O4 and a molecular weight of 306.16 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one
PubChem CID166460707
Molecular FormulaC10H8F6O4
Molecular Weight306.16 g/mol
Exact Mass306.03
IUPAC Name(Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one
SMILESCC(=O)/C=C(/C)OO/C(=C\C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6O4/c1-5(17)3-6(2)19-20-8(10(14,15)16)4-7(18)9(11,12)13/h3-4H,1-2H3/b6-3-,8-4-
InChIKeyVUOXEDYNDOZZAA-IJXUMNLFSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium
CID 136623042
(Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one
CID 118327341
(Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one
CID 16686025
(Z)-4-butan-2-yloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one;iron
CID 143646929
(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one
CID 16717626
CID 140513856
CID 140513856
(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one
CID 11811257
carbon monoxide;rhodium;(Z)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one
CID 135473693
cerium;tetrakis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 155886786
bis(iron(3+));tris(5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 170920124
iron;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one;bis((E)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 159919059
copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
CID 58773962

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one?
The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one (CID 166460707) is (Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one?
The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one is CC(=O)/C=C(/C)OO/C(=C\C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one?
The InChIKey is VUOXEDYNDOZZAA-IJXUMNLFSA-N. The full InChI is InChI=1S/C10H8F6O4/c1-5(17)3-6(2)19-20-8(10(14,15)16)4-7(18)9(11,12)13/h3-4H,1-2H3/b6-3-,8-4-.
What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one?
(Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one has a molecular weight of 306.16 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one is sourced from PubChem (CID 166460707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).