[(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate

C8H12FNO3 — CID 139529717

IUPAC[(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate
SMILESC/C=C\COC(=O)CNC(=O)CF
InChIInChI=1S/C8H12FNO3/c1-2-3-4-13-8(12)6-10-7(11)5-9/h2-3H,4-6H2,1H3,(H,10,11)/b3-2-
InChIKeyDKZXEVNKNLPNFG-IHWYPQMZSA-N
MW189.19 g/mol
LogP0.19
Rot. Bonds5

About [(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate

[(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate (PubChem CID 139529717) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is [(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate.

Molecular Properties

Compound Name[(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate
PubChem CID139529717
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name[(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate
SMILESC/C=C\COC(=O)CNC(=O)CF
InChIInChI=1S/C8H12FNO3/c1-2-3-4-13-8(12)6-10-7(11)5-9/h2-3H,4-6H2,1H3,(H,10,11)/b3-2-
InChIKeyDKZXEVNKNLPNFG-IHWYPQMZSA-N
XLogP0.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate?
The IUPAC name of [(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate (CID 139529717) is [(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate.
What is the SMILES notation for [(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate?
The canonical SMILES for [(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate is C/C=C\COC(=O)CNC(=O)CF.
What is the InChIKey of [(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate?
The InChIKey is DKZXEVNKNLPNFG-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-2-3-4-13-8(12)6-10-7(11)5-9/h2-3H,4-6H2,1H3,(H,10,11)/b3-2-.
What are the key properties of [(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate?
[(Z)-but-2-enyl] 2-[(2-fluoroacetyl)amino]acetate has a molecular weight of 189.19 g/mol, XLogP of 0.19, 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-fluoroacetyl)amino]acetate is sourced from PubChem (CID 139529717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).