[(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate

C9H10F5NO3 — CID 151756670

IUPAC[(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate
SMILESC/C=C\COC(=O)CNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F5NO3/c1-2-3-4-18-6(16)5-15-7(17)8(10,11)9(12,13)14/h2-3H,4-5H2,1H3,(H,15,17)/b3-2-
InChIKeyRPRKSNMARCCYPV-IHWYPQMZSA-N
MW275.17 g/mol
LogP1.42
Rot. Bonds5

About [(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate

[(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate (PubChem CID 151756670) has the molecular formula C9H10F5NO3 and a molecular weight of 275.17 g/mol. Its IUPAC name is [(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate.

Molecular Properties

Compound Name[(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate
PubChem CID151756670
Molecular FormulaC9H10F5NO3
Molecular Weight275.17 g/mol
Exact Mass275.06
IUPAC Name[(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate
SMILESC/C=C\COC(=O)CNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F5NO3/c1-2-3-4-18-6(16)5-15-7(17)8(10,11)9(12,13)14/h2-3H,4-5H2,1H3,(H,15,17)/b3-2-
InChIKeyRPRKSNMARCCYPV-IHWYPQMZSA-N
XLogP1.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.42
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 [(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate?
The IUPAC name of [(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate (CID 151756670) is [(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate.
What is the SMILES notation for [(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate?
The canonical SMILES for [(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate is C/C=C\COC(=O)CNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of [(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate?
The InChIKey is RPRKSNMARCCYPV-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H10F5NO3/c1-2-3-4-18-6(16)5-15-7(17)8(10,11)9(12,13)14/h2-3H,4-5H2,1H3,(H,15,17)/b3-2-.
What are the key properties of [(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate?
[(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate has a molecular weight of 275.17 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-enyl] 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate is sourced from PubChem (CID 151756670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).