(8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate

C14H23F3O6 — CID 22123745

IUPAC(8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate
SMILESCCOC(=O)OCCCC(F)C(F)C(F)CCOC(=O)OCC
InChIInChI=1S/C14H23F3O6/c1-3-20-13(18)22-8-5-6-10(15)12(17)11(16)7-9-23-14(19)21-4-2/h10-12H,3-9H2,1-2H3
InChIKeyQFVJYNJRLVACAL-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.52
Rot. Bonds11

About (8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate

(8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate (PubChem CID 22123745) has the molecular formula C14H23F3O6 and a molecular weight of 344.33 g/mol. Its IUPAC name is (8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate.

Molecular Properties

Compound Name(8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate
PubChem CID22123745
Molecular FormulaC14H23F3O6
Molecular Weight344.33 g/mol
Exact Mass344.14
IUPAC Name(8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate
SMILESCCOC(=O)OCCCC(F)C(F)C(F)CCOC(=O)OCC
InChIInChI=1S/C14H23F3O6/c1-3-20-13(18)22-8-5-6-10(15)12(17)11(16)7-9-23-14(19)21-4-2/h10-12H,3-9H2,1-2H3
InChIKeyQFVJYNJRLVACAL-UHFFFAOYSA-N
XLogP3.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate?
The IUPAC name of (8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate (CID 22123745) is (8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate.
What is the SMILES notation for (8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate?
The canonical SMILES for (8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate is CCOC(=O)OCCCC(F)C(F)C(F)CCOC(=O)OCC.
What is the InChIKey of (8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate?
The InChIKey is QFVJYNJRLVACAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O6/c1-3-20-13(18)22-8-5-6-10(15)12(17)11(16)7-9-23-14(19)21-4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of (8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate?
(8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate has a molecular weight of 344.33 g/mol, XLogP of 3.52, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethoxycarbonyloxy-3,4,5-trifluorooctyl) ethyl carbonate is sourced from PubChem (CID 22123745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).