1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol

C12H23F3O6 — CID 88646259

IUPAC1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
SMILESCOCCOCCOCCOCC(OC)C(F)C(O)(F)F
InChIInChI=1S/C12H23F3O6/c1-17-3-4-19-5-6-20-7-8-21-9-10(18-2)11(13)12(14,15)16/h10-11,16H,3-9H2,1-2H3
InChIKeyXJOHNYYOPREQSM-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.62
Rot. Bonds14

About 1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol

1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol (PubChem CID 88646259) has the molecular formula C12H23F3O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is 1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol.

Molecular Properties

Compound Name1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
PubChem CID88646259
Molecular FormulaC12H23F3O6
Molecular Weight320.30 g/mol
Exact Mass320.14
IUPAC Name1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
SMILESCOCCOCCOCCOCC(OC)C(F)C(O)(F)F
InChIInChI=1S/C12H23F3O6/c1-17-3-4-19-5-6-20-7-8-21-9-10(18-2)11(13)12(14,15)16/h10-11,16H,3-9H2,1-2H3
InChIKeyXJOHNYYOPREQSM-UHFFFAOYSA-N
XLogP0.62
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
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 1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol?
The IUPAC name of 1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol (CID 88646259) is 1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol.
What is the SMILES notation for 1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol?
The canonical SMILES for 1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol is COCCOCCOCCOCC(OC)C(F)C(O)(F)F.
What is the InChIKey of 1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol?
The InChIKey is XJOHNYYOPREQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O6/c1-17-3-4-19-5-6-20-7-8-21-9-10(18-2)11(13)12(14,15)16/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol?
1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol has a molecular weight of 320.30 g/mol, XLogP of 0.62, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-3-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol is sourced from PubChem (CID 88646259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).