ethyl 2-ethoxy-3,3,3-trifluoropropanoate

C7H11F3O3 — CID 22913255

IUPACethyl 2-ethoxy-3,3,3-trifluoropropanoate
SMILESCCOC(=O)C(OCC)C(F)(F)F
InChIInChI=1S/C7H11F3O3/c1-3-12-5(7(8,9)10)6(11)13-4-2/h5H,3-4H2,1-2H3
InChIKeyRQSRRHQEOGTJCM-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.52
Rot. Bonds4

About ethyl 2-ethoxy-3,3,3-trifluoropropanoate

ethyl 2-ethoxy-3,3,3-trifluoropropanoate (PubChem CID 22913255) has the molecular formula C7H11F3O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is ethyl 2-ethoxy-3,3,3-trifluoropropanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3,3,3-trifluoropropanoate
PubChem CID22913255
Molecular FormulaC7H11F3O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Nameethyl 2-ethoxy-3,3,3-trifluoropropanoate
SMILESCCOC(=O)C(OCC)C(F)(F)F
InChIInChI=1S/C7H11F3O3/c1-3-12-5(7(8,9)10)6(11)13-4-2/h5H,3-4H2,1-2H3
InChIKeyRQSRRHQEOGTJCM-UHFFFAOYSA-N
XLogP1.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-acetyloxypropanoate
CID 221166
Ethyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 2782595
Ethyl 2-ethoxypropanoate
CID 247453
Ethyl 3,3,3-trifluoro-2-oxopropanoate
CID 2737239
Propanoic acid, 2-methoxy-, methyl ester
CID 86599
1-Methylethyl 2-methoxyacetate
CID 542192
Methyl 2-acetoxypropanoate
CID 221165
Propan-2-yl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 10177266
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
Methyl 2-(propan-2-yloxy)acetate
CID 23192059

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3,3,3-trifluoropropanoate?
The IUPAC name of ethyl 2-ethoxy-3,3,3-trifluoropropanoate (CID 22913255) is ethyl 2-ethoxy-3,3,3-trifluoropropanoate.
What is the SMILES notation for ethyl 2-ethoxy-3,3,3-trifluoropropanoate?
The canonical SMILES for ethyl 2-ethoxy-3,3,3-trifluoropropanoate is CCOC(=O)C(OCC)C(F)(F)F.
What is the InChIKey of ethyl 2-ethoxy-3,3,3-trifluoropropanoate?
The InChIKey is RQSRRHQEOGTJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O3/c1-3-12-5(7(8,9)10)6(11)13-4-2/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-3,3,3-trifluoropropanoate?
ethyl 2-ethoxy-3,3,3-trifluoropropanoate has a molecular weight of 200.16 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3,3,3-trifluoropropanoate is sourced from PubChem (CID 22913255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).