2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

C9H11F7O4 — CID 91692264

IUPAC2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F7O4/c1-18-2-3-19-4-5-20-6(17)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3
InChIKeyWSUKIWBSTWECGD-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.03
Rot. Bonds8

About 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 91692264) has the molecular formula C9H11F7O4 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID91692264
Molecular FormulaC9H11F7O4
Molecular Weight316.17 g/mol
Exact Mass316.05
IUPAC Name2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F7O4/c1-18-2-3-19-4-5-20-6(17)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3
InChIKeyWSUKIWBSTWECGD-UHFFFAOYSA-N
XLogP2.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 91692264) is 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is COCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is WSUKIWBSTWECGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7O4/c1-18-2-3-19-4-5-20-6(17)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 316.17 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 91692264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).