4,4,5,5,5-pentafluoropent-1-en-1-one

C5H3F5O — CID 87445018

IUPAC4,4,5,5,5-pentafluoropent-1-en-1-one
SMILESO=C=CCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F5O/c6-4(7,2-1-3-11)5(8,9)10/h1H,2H2
InChIKeyJRSPAKWQUPLUQH-UHFFFAOYSA-N
MW174.07 g/mol
LogP1.96
Rot. Bonds2

About 4,4,5,5,5-pentafluoropent-1-en-1-one

4,4,5,5,5-pentafluoropent-1-en-1-one (PubChem CID 87445018) has the molecular formula C5H3F5O and a molecular weight of 174.07 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoropent-1-en-1-one.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoropent-1-en-1-one
PubChem CID87445018
Molecular FormulaC5H3F5O
Molecular Weight174.07 g/mol
Exact Mass174.01
IUPAC Name4,4,5,5,5-pentafluoropent-1-en-1-one
SMILESO=C=CCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F5O/c6-4(7,2-1-3-11)5(8,9)10/h1H,2H2
InChIKeyJRSPAKWQUPLUQH-UHFFFAOYSA-N
XLogP1.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoropent-1-en-1-one?
The IUPAC name of 4,4,5,5,5-pentafluoropent-1-en-1-one (CID 87445018) is 4,4,5,5,5-pentafluoropent-1-en-1-one.
What is the SMILES notation for 4,4,5,5,5-pentafluoropent-1-en-1-one?
The canonical SMILES for 4,4,5,5,5-pentafluoropent-1-en-1-one is O=C=CCC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoropent-1-en-1-one?
The InChIKey is JRSPAKWQUPLUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O/c6-4(7,2-1-3-11)5(8,9)10/h1H,2H2.
What are the key properties of 4,4,5,5,5-pentafluoropent-1-en-1-one?
4,4,5,5,5-pentafluoropent-1-en-1-one has a molecular weight of 174.07 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoropent-1-en-1-one is sourced from PubChem (CID 87445018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).