(Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one

C8H8F6O2 — CID 118327341

IUPAC(Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one
SMILESCC(C)O/C(=C\C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O2/c1-4(2)16-6(8(12,13)14)3-5(15)7(9,10)11/h3-4H,1-2H3/b6-3-
InChIKeyAROAQSWGXKYVBO-UTCJRWHESA-N
MW250.14 g/mol
LogP2.99
Rot. Bonds3

About (Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one

(Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one (PubChem CID 118327341) has the molecular formula C8H8F6O2 and a molecular weight of 250.14 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one
PubChem CID118327341
Molecular FormulaC8H8F6O2
Molecular Weight250.14 g/mol
Exact Mass250.04
IUPAC Name(Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one
SMILESCC(C)O/C(=C\C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O2/c1-4(2)16-6(8(12,13)14)3-5(15)7(9,10)11/h3-4H,1-2H3/b6-3-
InChIKeyAROAQSWGXKYVBO-UTCJRWHESA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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)-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)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one
CID 166460707
(Z)-4-butan-2-yloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one;iron
CID 143646929
(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one
CID 11811257
propan-2-yl carbamate;2,2,2-trifluoroacetic acid
CID 172725530
(E)-4-ethoxy-1,1,1-trifluoro-4-hydroxybut-3-en-2-one;bis(propan-2-ol);zirconium
CID 21022158
bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium
CID 162495192
(3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione
CID 24786506
propan-2-yl 2-chloro-2,2-difluoroacetate
CID 14008863
propan-2-yl 3,3,3-trifluoro-2-methylpropanoate
CID 13183702
propan-2-yl 2,2-difluoro-2-iodoacetate
CID 4738502

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one?
The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one (CID 118327341) is (Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one?
The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one is CC(C)O/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-propan-2-yloxypent-3-en-2-one?
The InChIKey is AROAQSWGXKYVBO-UTCJRWHESA-N. The full InChI is InChI=1S/C8H8F6O2/c1-4(2)16-6(8(12,13)14)3-5(15)7(9,10)11/h3-4H,1-2H3/b6-3-.
What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one?
(Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one has a molecular weight of 250.14 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,5,5,5-hexafluoro-4-propan-2-yloxypent-3-en-2-one is sourced from PubChem (CID 118327341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).