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

C5H2F6O2 — CID 5365726

IUPAC(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one
SMILESO=C(/C=C(\O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1,12H/b2-1-
InChIKeyZUSKFDORJCVUSD-UPHRSURJSA-N
MW208.06 g/mol
LogP2.12
Rot. Bonds1

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

(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one (PubChem CID 5365726) has the molecular formula C5H2F6O2 and a molecular weight of 208.06 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one
PubChem CID5365726
Molecular FormulaC5H2F6O2
Molecular Weight208.06 g/mol
Exact Mass208.00
IUPAC Name(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one
SMILESO=C(/C=C(\O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1,12H/b2-1-
InChIKeyZUSKFDORJCVUSD-UPHRSURJSA-N
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.12
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one?
The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one (CID 5365726) is (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one?
The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one is 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-hydroxypent-3-en-2-one?
The InChIKey is ZUSKFDORJCVUSD-UPHRSURJSA-N. The full InChI is InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1,12H/b2-1-.
What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one?
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one has a molecular weight of 208.06 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 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-hydroxypent-3-en-2-one is sourced from PubChem (CID 5365726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).