1,1,1,3,3-pentafluoropent-4-en-2-one

C5H3F5O — CID 130031711

IUPAC1,1,1,3,3-pentafluoropent-4-en-2-one
SMILESC=CC(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C5H3F5O/c1-2-4(6,7)3(11)5(8,9)10/h2H,1H2
InChIKeyVPMWTAIXYDCSBW-UHFFFAOYSA-N
MW174.07 g/mol
LogP1.94
Rot. Bonds2

About 1,1,1,3,3-pentafluoropent-4-en-2-one

1,1,1,3,3-pentafluoropent-4-en-2-one (PubChem CID 130031711) has the molecular formula C5H3F5O and a molecular weight of 174.07 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoropent-4-en-2-one.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoropent-4-en-2-one
PubChem CID130031711
Molecular FormulaC5H3F5O
Molecular Weight174.07 g/mol
Exact Mass174.01
IUPAC Name1,1,1,3,3-pentafluoropent-4-en-2-one
SMILESC=CC(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C5H3F5O/c1-2-4(6,7)3(11)5(8,9)10/h2H,1H2
InChIKeyVPMWTAIXYDCSBW-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoropent-4-en-2-one?
The IUPAC name of 1,1,1,3,3-pentafluoropent-4-en-2-one (CID 130031711) is 1,1,1,3,3-pentafluoropent-4-en-2-one.
What is the SMILES notation for 1,1,1,3,3-pentafluoropent-4-en-2-one?
The canonical SMILES for 1,1,1,3,3-pentafluoropent-4-en-2-one is C=CC(F)(F)C(=O)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoropent-4-en-2-one?
The InChIKey is VPMWTAIXYDCSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O/c1-2-4(6,7)3(11)5(8,9)10/h2H,1H2.
What are the key properties of 1,1,1,3,3-pentafluoropent-4-en-2-one?
1,1,1,3,3-pentafluoropent-4-en-2-one has a molecular weight of 174.07 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoropent-4-en-2-one is sourced from PubChem (CID 130031711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).