TVZQRDFKQKVFPB-WCSRMQSCSA-N

C₁₀H₁₁F₃N₂O₂S — CID 151947773

About TVZQRDFKQKVFPB-WCSRMQSCSA-N

TVZQRDFKQKVFPB-WCSRMQSCSA-N (PubChem CID 151947773) has the molecular formula C₁₀H₁₁F₃N₂O₂S and a molecular weight of 280.27 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]methanimine oxide.

Molecular Properties

• Compound Name: TVZQRDFKQKVFPB-WCSRMQSCSA-N
• PubChem CID: 151947773
• Molecular Formula: C₁₀H₁₁F₃N₂O₂S
• Molecular Weight: 280.27 g/mol
• Exact Mass: 280.05
• IUPAC Name: N-methyl-1-[4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]methanimine oxide
• SMILES: Cc1nc(SCCC(F)=C(F)F)oc1/C=[N+](/C)[O-]
• InChI: InChI=1S/C10H11F3N2O2S/c1-6-8(5-15(2)16)17-10(14-6)18-4-3-7(11)9(12)13/h5H,3-4H2,1-2H3/b15-5-
• InChIKey: TVZQRDFKQKVFPB-WCSRMQSCSA-N
• XLogP: 3.10
• TPSA: 52.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.27
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of TVZQRDFKQKVFPB-WCSRMQSCSA-N?

The IUPAC name of TVZQRDFKQKVFPB-WCSRMQSCSA-N (CID 151947773) is N-methyl-1-[4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]methanimine oxide.

What is the SMILES notation for TVZQRDFKQKVFPB-WCSRMQSCSA-N?

The canonical SMILES for TVZQRDFKQKVFPB-WCSRMQSCSA-N is Cc1nc(SCCC(F)=C(F)F)oc1/C=[N+](/C)[O-].

What is the InChIKey of TVZQRDFKQKVFPB-WCSRMQSCSA-N?

The InChIKey is TVZQRDFKQKVFPB-WCSRMQSCSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-6-8(5-15(2)16)17-10(14-6)18-4-3-7(11)9(12)13/h5H,3-4H2,1-2H3/b15-5-.

What are the key properties of TVZQRDFKQKVFPB-WCSRMQSCSA-N?

TVZQRDFKQKVFPB-WCSRMQSCSA-N has a molecular weight of 280.27 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for TVZQRDFKQKVFPB-WCSRMQSCSA-N is sourced from PubChem (CID 151947773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151947773 — identifiers, structure, computed properties (public domain)

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