1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate

C7H10F4O3 — CID 88537602

IUPAC1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate
SMILESCCOC(C)OC(=O)C(F)C(F)(F)F
InChIInChI=1S/C7H10F4O3/c1-3-13-4(2)14-6(12)5(8)7(9,10)11/h4-5H,3H2,1-2H3
InChIKeySEHBOMXHKGYQIZ-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.81
Rot. Bonds4

About 1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate

1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate (PubChem CID 88537602) has the molecular formula C7H10F4O3 and a molecular weight of 218.15 g/mol. Its IUPAC name is 1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Name1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate
PubChem CID88537602
Molecular FormulaC7H10F4O3
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Name1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate
SMILESCCOC(C)OC(=O)C(F)C(F)(F)F
InChIInChI=1S/C7H10F4O3/c1-3-13-4(2)14-6(12)5(8)7(9,10)11/h4-5H,3H2,1-2H3
InChIKeySEHBOMXHKGYQIZ-UHFFFAOYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,3,3,4,4,4-Heptafluorobutoxy)ethyl acetate
CID 131853147
1-[1-(1-Propoxypropoxy)propoxy]propan-1-ol, pentafluoropropionate
CID 91733774
(1-Acetyloxy-2,2,2-trifluoroethyl) acetate
CID 14469419
Bis(trifluoroacetic acid)ethylidene ester
CID 54473077
(1-Acetyloxy-2,2,3,3,3-pentafluoropropyl) acetate
CID 58963600
Carbanide;1,1,2,2-tetrafluoropropoxymethyl acetate;yttrium
CID 59079090
Bis(2,2,2-trifluoroethoxy)methyl acetate
CID 87159870
alpha-(Trifluoromethoxy)ethyl acetate
CID 87265757
1-Acetyloxyethyl 2,2-difluoroacetate
CID 88171698
(1-Acetyloxy-2,2-difluoroethyl) acetate
CID 90880879
1-(3,3-Difluorobutoxy)ethyl acetate
CID 118261292
1-(2,2,2-Trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate
CID 118906203

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate?
The IUPAC name of 1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate (CID 88537602) is 1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for 1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for 1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate is CCOC(C)OC(=O)C(F)C(F)(F)F.
What is the InChIKey of 1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate?
The InChIKey is SEHBOMXHKGYQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O3/c1-3-13-4(2)14-6(12)5(8)7(9,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate?
1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate has a molecular weight of 218.15 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 88537602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).