ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate

C7H10F4O3 — CID 7036411

IUPACethyl (2R)-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/t6-/m0/s1
InChIKeyQOJXQRSCNVLGPK-LURJTMIESA-N
MW218.15 g/mol
LogP1.81
Rot. Bonds4

About ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate

ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate (PubChem CID 7036411) has the molecular formula C7H10F4O3 and a molecular weight of 218.15 g/mol. Its IUPAC name is ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate
PubChem CID7036411
Molecular FormulaC7H10F4O3
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Nameethyl (2R)-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/t6-/m0/s1
InChIKeyQOJXQRSCNVLGPK-LURJTMIESA-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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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate?
The IUPAC name of ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate (CID 7036411) is ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate is CCOC(=O)[C@](F)(OCC)C(F)(F)F.
What is the InChIKey of ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate?
The InChIKey is QOJXQRSCNVLGPK-LURJTMIESA-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/t6-/m0/s1.
What are the key properties of ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate?
ethyl (2R)-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 (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 7036411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).