2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate

C10H9F5O3 — CID 139619201

IUPAC2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate
SMILESC=C(C)C(=O)C(=C)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F5O3/c1-5(2)7(16)6(3)8(17)18-4-9(11,12)10(13,14)15/h1,3-4H2,2H3
InChIKeyADJMGPSUNFKDRC-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.43
Rot. Bonds5

About 2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate

2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate (PubChem CID 139619201) has the molecular formula C10H9F5O3 and a molecular weight of 272.17 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate
PubChem CID139619201
Molecular FormulaC10H9F5O3
Molecular Weight272.17 g/mol
Exact Mass272.05
IUPAC Name2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate
SMILESC=C(C)C(=O)C(=C)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F5O3/c1-5(2)7(16)6(3)8(17)18-4-9(11,12)10(13,14)15/h1,3-4H2,2H3
InChIKeyADJMGPSUNFKDRC-UHFFFAOYSA-N
XLogP2.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate (CID 139619201) is 2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate is C=C(C)C(=O)C(=C)C(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate?
The InChIKey is ADJMGPSUNFKDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O3/c1-5(2)7(16)6(3)8(17)18-4-9(11,12)10(13,14)15/h1,3-4H2,2H3.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate?
2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate has a molecular weight of 272.17 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 4-methyl-2-methylidene-3-oxopent-4-enoate is sourced from PubChem (CID 139619201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).