[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate

C10H9F4NO3 — CID 139567576

IUPAC[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate
SMILESC#CCN(C)C(=O)C(=O)OC/C=C(\F)C(F)(F)F
InChIInChI=1S/C10H9F4NO3/c1-3-5-15(2)8(16)9(17)18-6-4-7(11)10(12,13)14/h1,4H,5-6H2,2H3/b7-4-
InChIKeyQBKJIASYWCTSAU-DAXSKMNVSA-N
MW267.18 g/mol
LogP1.04
Rot. Bonds3

About [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate

[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate (PubChem CID 139567576) has the molecular formula C10H9F4NO3 and a molecular weight of 267.18 g/mol. Its IUPAC name is [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate.

Molecular Properties

Compound Name[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate
PubChem CID139567576
Molecular FormulaC10H9F4NO3
Molecular Weight267.18 g/mol
Exact Mass267.05
IUPAC Name[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate
SMILESC#CCN(C)C(=O)C(=O)OC/C=C(\F)C(F)(F)F
InChIInChI=1S/C10H9F4NO3/c1-3-5-15(2)8(16)9(17)18-6-4-7(11)10(12,13)14/h1,4H,5-6H2,2H3/b7-4-
InChIKeyQBKJIASYWCTSAU-DAXSKMNVSA-N
XLogP1.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate?
The IUPAC name of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate (CID 139567576) is [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate.
What is the SMILES notation for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate?
The canonical SMILES for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate is C#CCN(C)C(=O)C(=O)OC/C=C(\F)C(F)(F)F.
What is the InChIKey of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate?
The InChIKey is QBKJIASYWCTSAU-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H9F4NO3/c1-3-5-15(2)8(16)9(17)18-6-4-7(11)10(12,13)14/h1,4H,5-6H2,2H3/b7-4-.
What are the key properties of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate?
[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate has a molecular weight of 267.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-[methyl(prop-2-ynyl)amino]-2-oxoacetate is sourced from PubChem (CID 139567576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).