ethyl 2,3,3,3-tetrafluoropropanoate

C5H6F4O2 — CID 520974

IUPACethyl 2,3,3,3-tetrafluoropropanoate
SMILESCCOC(=O)C(F)C(F)(F)F
InChIInChI=1S/C5H6F4O2/c1-2-11-4(10)3(6)5(7,8)9/h3H,2H2,1H3
InChIKeyYJROLMPBFOAPOX-UHFFFAOYSA-N
MW174.09 g/mol
LogP1.45
Rot. Bonds2

About ethyl 2,3,3,3-tetrafluoropropanoate

ethyl 2,3,3,3-tetrafluoropropanoate (PubChem CID 520974) has the molecular formula C5H6F4O2 and a molecular weight of 174.09 g/mol. Its IUPAC name is ethyl 2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Nameethyl 2,3,3,3-tetrafluoropropanoate
PubChem CID520974
Molecular FormulaC5H6F4O2
Molecular Weight174.09 g/mol
Exact Mass174.03
IUPAC Nameethyl 2,3,3,3-tetrafluoropropanoate
SMILESCCOC(=O)C(F)C(F)(F)F
InChIInChI=1S/C5H6F4O2/c1-2-11-4(10)3(6)5(7,8)9/h3H,2H2,1H3
InChIKeyYJROLMPBFOAPOX-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,3,3-tetrafluoropropanoate?
The IUPAC name of ethyl 2,3,3,3-tetrafluoropropanoate (CID 520974) is ethyl 2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for ethyl 2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for ethyl 2,3,3,3-tetrafluoropropanoate is CCOC(=O)C(F)C(F)(F)F.
What is the InChIKey of ethyl 2,3,3,3-tetrafluoropropanoate?
The InChIKey is YJROLMPBFOAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O2/c1-2-11-4(10)3(6)5(7,8)9/h3H,2H2,1H3.
What are the key properties of ethyl 2,3,3,3-tetrafluoropropanoate?
ethyl 2,3,3,3-tetrafluoropropanoate has a molecular weight of 174.09 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 520974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).