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

C5HF7O2 — CID 53413252

IUPAC2,3,4,4,5,5,5-heptafluoropent-2-enoic acid
SMILESO=C(O)C(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF7O2/c6-1(3(13)14)2(7)4(8,9)5(10,11)12/h(H,13,14)
InChIKeyNZKAIQVCNVGSRE-UHFFFAOYSA-N
MW226.05 g/mol
LogP2.42
Rot. Bonds2

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

2,3,4,4,5,5,5-heptafluoropent-2-enoic acid (PubChem CID 53413252) has the molecular formula C5HF7O2 and a molecular weight of 226.05 g/mol. Its IUPAC name is 2,3,4,4,5,5,5-heptafluoropent-2-enoic acid.

Molecular Properties

Compound Name2,3,4,4,5,5,5-heptafluoropent-2-enoic acid
PubChem CID53413252
Molecular FormulaC5HF7O2
Molecular Weight226.05 g/mol
Exact Mass225.99
IUPAC Name2,3,4,4,5,5,5-heptafluoropent-2-enoic acid
SMILESO=C(O)C(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF7O2/c6-1(3(13)14)2(7)4(8,9)5(10,11)12/h(H,13,14)
InChIKeyNZKAIQVCNVGSRE-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4,5,5,5-heptafluoropent-2-enoic acid?
The IUPAC name of 2,3,4,4,5,5,5-heptafluoropent-2-enoic acid (CID 53413252) is 2,3,4,4,5,5,5-heptafluoropent-2-enoic acid.
What is the SMILES notation for 2,3,4,4,5,5,5-heptafluoropent-2-enoic acid?
The canonical SMILES for 2,3,4,4,5,5,5-heptafluoropent-2-enoic acid is O=C(O)C(F)=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,4,4,5,5,5-heptafluoropent-2-enoic acid?
The InChIKey is NZKAIQVCNVGSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF7O2/c6-1(3(13)14)2(7)4(8,9)5(10,11)12/h(H,13,14).
What are the key properties of 2,3,4,4,5,5,5-heptafluoropent-2-enoic acid?
2,3,4,4,5,5,5-heptafluoropent-2-enoic acid has a molecular weight of 226.05 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,5,5,5-heptafluoropent-2-enoic acid is sourced from PubChem (CID 53413252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).