2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid

C7H7F5O2 — CID 87338161

IUPAC2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid
SMILESCC=C(CC(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H7F5O2/c1-2-4(5(13)14)3-6(8,9)7(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyPQWSEYUPSAIRBF-UHFFFAOYSA-N
MW218.12 g/mol
LogP2.61
Rot. Bonds3

About 2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid

2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid (PubChem CID 87338161) has the molecular formula C7H7F5O2 and a molecular weight of 218.12 g/mol. Its IUPAC name is 2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid.

Molecular Properties

Compound Name2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid
PubChem CID87338161
Molecular FormulaC7H7F5O2
Molecular Weight218.12 g/mol
Exact Mass218.04
IUPAC Name2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid
SMILESCC=C(CC(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H7F5O2/c1-2-4(5(13)14)3-6(8,9)7(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyPQWSEYUPSAIRBF-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.61
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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Related Compounds

2-propyl-2-pentenoic acid, (E)-
CID 6437068
2-Propyl-2-pentenoic acid
CID 104893
(Z)-2-propylpent-2-enoic acid
CID 6439659
5,5,5-Trifluoro-2-methylpent-2-enoic acid
CID 57009292
3,3,4,4,5,5,6,6,6-Nonafluoropentyl methacrylate
CID 129719148
2-Propylfumaric acid
CID 5355090
2-Propylbut-2-enedioic acid
CID 230409
(2E)-2-ethylidenepentanoic acid
CID 87529694
(E)-4,4-difluoro-2-propylpent-2-enoic acid
CID 10419737
4-Methyl-2-(trifluoromethyl)cyclohexa-1,4-diene-1-carboxylic acid
CID 14172443
5-Methyl-2-(trifluoromethyl)cyclohexa-1,4-diene-1-carboxylic acid
CID 14172448
(E)-4,4,5,5,6,6,6-heptafluoro-3-methylhex-2-enoic acid
CID 15655315

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid?
The IUPAC name of 2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid (CID 87338161) is 2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid.
What is the SMILES notation for 2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid?
The canonical SMILES for 2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid is CC=C(CC(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid?
The InChIKey is PQWSEYUPSAIRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5O2/c1-2-4(5(13)14)3-6(8,9)7(10,11)12/h2H,3H2,1H3,(H,13,14).
What are the key properties of 2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid?
2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid has a molecular weight of 218.12 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-4,4,5,5,5-pentafluoropentanoic acid is sourced from PubChem (CID 87338161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).