2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol

C19H14F24O4 — CID 139989559

About 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol

2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol (PubChem CID 139989559) has the molecular formula C19H14F24O4 and a molecular weight of 762.27 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol.

Molecular Properties

• Compound Name: 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol
• PubChem CID: 139989559
• Molecular Formula: C19H14F24O4
• Molecular Weight: 762.27 g/mol
• Exact Mass: 762.05
• IUPAC Name: 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol
• SMILES: OCC(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OCC1CO1
• InChI: InChI=1S/C19H14F24O4/c20-8(21)10(24,25)12(28,29)14(32,33)16(36,37)18(40,41)19(42,43)17(38,39)15(34,35)13(30,31)11(26,27)9(22,23)5-45-2-6(1-44)46-3-7-4-47-7/h6-8,44H,1-5H2
• InChIKey: NEVWCSURRGDIKW-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.27
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol?

The IUPAC name of 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol (CID 139989559) is 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol.

What is the SMILES notation for 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol?

The canonical SMILES for 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol is OCC(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OCC1CO1.

What is the InChIKey of 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol?

The InChIKey is NEVWCSURRGDIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F24O4/c20-8(21)10(24,25)12(28,29)14(32,33)16(36,37)18(40,41)19(42,43)17(38,39)15(34,35)13(30,31)11(26,27)9(22,23)5-45-2-6(1-44)46-3-7-4-47-7/h6-8,44H,1-5H2.

What are the key properties of 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol?

2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol has a molecular weight of 762.27 g/mol, XLogP of 7.03, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol is sourced from PubChem (CID 139989559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).