[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate

C9H9F4NO4 — CID 139567583

IUPAC[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate
SMILESO=C(OC/C=C(\F)C(F)(F)F)C(=O)N1CCOC1
InChIInChI=1S/C9H9F4NO4/c10-6(9(11,12)13)1-3-18-8(16)7(15)14-2-4-17-5-14/h1H,2-5H2/b6-1-
InChIKeyBLHWKCLKYCWERD-BHQIHCQQSA-N
MW271.17 g/mol
LogP0.76
Rot. Bonds2

About [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate

[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate (PubChem CID 139567583) has the molecular formula C9H9F4NO4 and a molecular weight of 271.17 g/mol. Its IUPAC name is [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate.

Molecular Properties

Compound Name[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate
PubChem CID139567583
Molecular FormulaC9H9F4NO4
Molecular Weight271.17 g/mol
Exact Mass271.05
IUPAC Name[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate
SMILESO=C(OC/C=C(\F)C(F)(F)F)C(=O)N1CCOC1
InChIInChI=1S/C9H9F4NO4/c10-6(9(11,12)13)1-3-18-8(16)7(15)14-2-4-17-5-14/h1H,2-5H2/b6-1-
InChIKeyBLHWKCLKYCWERD-BHQIHCQQSA-N
XLogP0.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate?
The IUPAC name of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate (CID 139567583) is [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate.
What is the SMILES notation for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate?
The canonical SMILES for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate is O=C(OC/C=C(\F)C(F)(F)F)C(=O)N1CCOC1.
What is the InChIKey of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate?
The InChIKey is BLHWKCLKYCWERD-BHQIHCQQSA-N. The full InChI is InChI=1S/C9H9F4NO4/c10-6(9(11,12)13)1-3-18-8(16)7(15)14-2-4-17-5-14/h1H,2-5H2/b6-1-.
What are the key properties of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate?
[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate has a molecular weight of 271.17 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(1,3-oxazolidin-3-yl)-2-oxoacetate is sourced from PubChem (CID 139567583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).