ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate

C7H10F4O3 — CID 2779789

IUPACethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate
SMILESCCOC(=O)C(F)(OCC)C(F)(F)F
InChIInChI=1S/C7H10F4O3/c1-3-13-5(12)6(8,14-4-2)7(9,10)11/h3-4H2,1-2H3
InChIKeyQOJXQRSCNVLGPK-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.81
Rot. Bonds4

About ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate

ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate (PubChem CID 2779789) has the molecular formula C7H10F4O3 and a molecular weight of 218.15 g/mol. Its IUPAC name is ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate
PubChem CID2779789
Molecular FormulaC7H10F4O3
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Nameethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate
SMILESCCOC(=O)C(F)(OCC)C(F)(F)F
InChIInChI=1S/C7H10F4O3/c1-3-13-5(12)6(8,14-4-2)7(9,10)11/h3-4H2,1-2H3
InChIKeyQOJXQRSCNVLGPK-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

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Related Compounds

Ethyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 2782595
Ethyl 3,3,3-trifluoro-2-oxopropanoate
CID 2737239
Methyl perfluoro(2-propoxypropanoate)
CID 139392
Propan-2-yl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 10177266
Methyl 2,3,3,3-tetrafluoro-2-(pentafluoroethoxy)propanoate
CID 11022752
Ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 12751209
Butyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15038809
Propyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 15938552
Butan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 10120121
Butan-2-yl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 10134714
Propyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15038808
2-Methylpropyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15269880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate?
The IUPAC name of ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate (CID 2779789) is ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate is CCOC(=O)C(F)(OCC)C(F)(F)F.
What is the InChIKey of ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate?
The InChIKey is QOJXQRSCNVLGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O3/c1-3-13-5(12)6(8,14-4-2)7(9,10)11/h3-4H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate?
ethyl 2-ethoxy-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 ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 2779789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).