2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate

C11H13F5O4 — CID 58013559

IUPAC2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
SMILESC=C(C)C(=O)OC(C)(C)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F5O4/c1-6(2)7(17)20-9(3,4)8(18)19-5-10(12,13)11(14,15)16/h1,5H2,2-4H3
InChIKeyQYFCQOHMGXDQTC-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.63
Rot. Bonds5

About 2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate

2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate (PubChem CID 58013559) has the molecular formula C11H13F5O4 and a molecular weight of 304.21 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
PubChem CID58013559
Molecular FormulaC11H13F5O4
Molecular Weight304.21 g/mol
Exact Mass304.07
IUPAC Name2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
SMILESC=C(C)C(=O)OC(C)(C)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F5O4/c1-6(2)7(17)20-9(3,4)8(18)19-5-10(12,13)11(14,15)16/h1,5H2,2-4H3
InChIKeyQYFCQOHMGXDQTC-UHFFFAOYSA-N
XLogP2.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate (CID 58013559) is 2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate is C=C(C)C(=O)OC(C)(C)C(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The InChIKey is QYFCQOHMGXDQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5O4/c1-6(2)7(17)20-9(3,4)8(18)19-5-10(12,13)11(14,15)16/h1,5H2,2-4H3.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate has a molecular weight of 304.21 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate is sourced from PubChem (CID 58013559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).