LVVFZTBWBOICDD-UHFFFAOYSA-N

C₁₃H₁₄F₃N₂OS+ — CID 11717063

About LVVFZTBWBOICDD-UHFFFAOYSA-N

LVVFZTBWBOICDD-UHFFFAOYSA-N (PubChem CID 11717063) has the molecular formula C₁₃H₁₄F₃N₂OS+ and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazol-3-ium-5-yl]ethanol.

Molecular Properties

• Compound Name: LVVFZTBWBOICDD-UHFFFAOYSA-N
• PubChem CID: 11717063
• Molecular Formula: C₁₃H₁₄F₃N₂OS+
• Molecular Weight: 303.33 g/mol
• Exact Mass: 303.08
• IUPAC Name: 2-[4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazol-3-ium-5-yl]ethanol
• SMILES: Cc1c(CCO)sc[n+]1Cc1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C13H14F3N2OS/c1-9-11(4-5-19)20-8-18(9)7-10-2-3-12(17-6-10)13(14,15)16/h2-3,6,8,19H,4-5,7H2,1H3/q+1
• InChIKey: LVVFZTBWBOICDD-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 37.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.33
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of LVVFZTBWBOICDD-UHFFFAOYSA-N?

The IUPAC name of LVVFZTBWBOICDD-UHFFFAOYSA-N (CID 11717063) is 2-[4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazol-3-ium-5-yl]ethanol.

What is the SMILES notation for LVVFZTBWBOICDD-UHFFFAOYSA-N?

The canonical SMILES for LVVFZTBWBOICDD-UHFFFAOYSA-N is Cc1c(CCO)sc[n+]1Cc1ccc(C(F)(F)F)nc1.

What is the InChIKey of LVVFZTBWBOICDD-UHFFFAOYSA-N?

The InChIKey is LVVFZTBWBOICDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N2OS/c1-9-11(4-5-19)20-8-18(9)7-10-2-3-12(17-6-10)13(14,15)16/h2-3,6,8,19H,4-5,7H2,1H3/q+1.

What are the key properties of LVVFZTBWBOICDD-UHFFFAOYSA-N?

LVVFZTBWBOICDD-UHFFFAOYSA-N has a molecular weight of 303.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for LVVFZTBWBOICDD-UHFFFAOYSA-N is sourced from PubChem (CID 11717063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11717063 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.