propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate

C11H14F5NO3 — CID 91735052

IUPACpropyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate
SMILESC=CCC(NC(=O)C(F)(F)C(F)(F)F)C(=O)OCCC
InChIInChI=1S/C11H14F5NO3/c1-3-5-7(8(18)20-6-4-2)17-9(19)10(12,13)11(14,15)16/h3,7H,1,4-6H2,2H3,(H,17,19)
InChIKeyGYEWWVKTBIDRGW-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.20
Rot. Bonds7

About propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate

propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate (PubChem CID 91735052) has the molecular formula C11H14F5NO3 and a molecular weight of 303.23 g/mol. Its IUPAC name is propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate.

Molecular Properties

Compound Namepropyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate
PubChem CID91735052
Molecular FormulaC11H14F5NO3
Molecular Weight303.23 g/mol
Exact Mass303.09
IUPAC Namepropyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate
SMILESC=CCC(NC(=O)C(F)(F)C(F)(F)F)C(=O)OCCC
InChIInChI=1S/C11H14F5NO3/c1-3-5-7(8(18)20-6-4-2)17-9(19)10(12,13)11(14,15)16/h3,7H,1,4-6H2,2H3,(H,17,19)
InChIKeyGYEWWVKTBIDRGW-UHFFFAOYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate?
The IUPAC name of propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate (CID 91735052) is propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate.
What is the SMILES notation for propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate?
The canonical SMILES for propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate is C=CCC(NC(=O)C(F)(F)C(F)(F)F)C(=O)OCCC.
What is the InChIKey of propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate?
The InChIKey is GYEWWVKTBIDRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F5NO3/c1-3-5-7(8(18)20-6-4-2)17-9(19)10(12,13)11(14,15)16/h3,7H,1,4-6H2,2H3,(H,17,19).
What are the key properties of propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate?
propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate has a molecular weight of 303.23 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2,2,3,3,3-pentafluoropropanoylamino)pent-4-enoate is sourced from PubChem (CID 91735052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).