2,2,3,3,4,5,5-heptafluoropent-4-enoic acid

C5HF7O2 — CID 134463388

IUPAC2,2,3,3,4,5,5-heptafluoropent-4-enoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C5HF7O2/c6-1(2(7)8)4(9,10)5(11,12)3(13)14/h(H,13,14)
InChIKeyLPXVCIYLUHCIEC-UHFFFAOYSA-N
MW226.05 g/mol
LogP2.42
Rot. Bonds3

About 2,2,3,3,4,5,5-heptafluoropent-4-enoic acid

2,2,3,3,4,5,5-heptafluoropent-4-enoic acid (PubChem CID 134463388) has the molecular formula C5HF7O2 and a molecular weight of 226.05 g/mol. Its IUPAC name is 2,2,3,3,4,5,5-heptafluoropent-4-enoic acid.

Molecular Properties

Compound Name2,2,3,3,4,5,5-heptafluoropent-4-enoic acid
PubChem CID134463388
Molecular FormulaC5HF7O2
Molecular Weight226.05 g/mol
Exact Mass225.99
IUPAC Name2,2,3,3,4,5,5-heptafluoropent-4-enoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C5HF7O2/c6-1(2(7)8)4(9,10)5(11,12)3(13)14/h(H,13,14)
InChIKeyLPXVCIYLUHCIEC-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.05
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5-heptafluoropent-4-enoic acid?
The IUPAC name of 2,2,3,3,4,5,5-heptafluoropent-4-enoic acid (CID 134463388) is 2,2,3,3,4,5,5-heptafluoropent-4-enoic acid.
What is the SMILES notation for 2,2,3,3,4,5,5-heptafluoropent-4-enoic acid?
The canonical SMILES for 2,2,3,3,4,5,5-heptafluoropent-4-enoic acid is O=C(O)C(F)(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 2,2,3,3,4,5,5-heptafluoropent-4-enoic acid?
The InChIKey is LPXVCIYLUHCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF7O2/c6-1(2(7)8)4(9,10)5(11,12)3(13)14/h(H,13,14).
What are the key properties of 2,2,3,3,4,5,5-heptafluoropent-4-enoic acid?
2,2,3,3,4,5,5-heptafluoropent-4-enoic acid has a molecular weight of 226.05 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,5-heptafluoropent-4-enoic acid is sourced from PubChem (CID 134463388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).