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

C10H13F7O4 — CID 91694026

IUPAC2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7O4/c1-2-19-3-4-20-5-6-21-7(18)8(11,12)9(13,14)10(15,16)17/h2-6H2,1H3
InChIKeyXMZPTRSHHDNMHU-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.42
Rot. Bonds9

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

2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 91694026) has the molecular formula C10H13F7O4 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID91694026
Molecular FormulaC10H13F7O4
Molecular Weight330.20 g/mol
Exact Mass330.07
IUPAC Name2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7O4/c1-2-19-3-4-20-5-6-21-7(18)8(11,12)9(13,14)10(15,16)17/h2-6H2,1H3
InChIKeyXMZPTRSHHDNMHU-UHFFFAOYSA-N
XLogP2.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.42
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'}

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Related Compounds

Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester
CID 9644
Ethyl 4,4,4-Trifluorobutyrate
CID 2733273
Butanedioic acid, 2,2,3,3-tetrafluoro-, 1,4-diethyl ester
CID 67834
Butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 137079
2,2,2-Trifluoroethyl butanoate
CID 193290
Ethyl 3,3-difluorobutyrate
CID 12617117
2,2,3,3,4,4,4-Heptafluorobutyl butanoate
CID 75360841
Butyl 2,2,3,3,3-pentafluoropropanoate
CID 526448
Propyl heptafluorobutanoate
CID 526454
1,3-Bis-(heptafluorobutyryloxy)-propane
CID 91691288
11,11,12,12,13,13,13-Heptafluoro-10-oxo-3,6,9-trioxatridec-1-yl heptafluorobutyrate
CID 91737749
Butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 15938554

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 91694026) is 2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is CCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is XMZPTRSHHDNMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7O4/c1-2-19-3-4-20-5-6-21-7(18)8(11,12)9(13,14)10(15,16)17/h2-6H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 330.20 g/mol, XLogP of 2.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 91694026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).