ethyl 2-fluoro-2-propan-2-yloxyacetate

C7H13FO3 — CID 79357119

IUPACethyl 2-fluoro-2-propan-2-yloxyacetate
SMILESCCOC(=O)C(F)OC(C)C
InChIInChI=1S/C7H13FO3/c1-4-10-7(9)6(8)11-5(2)3/h5-6H,4H2,1-3H3
InChIKeyCTNPLISBMRFZKJ-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.27
Rot. Bonds4

About ethyl 2-fluoro-2-propan-2-yloxyacetate

ethyl 2-fluoro-2-propan-2-yloxyacetate (PubChem CID 79357119) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is ethyl 2-fluoro-2-propan-2-yloxyacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-propan-2-yloxyacetate
PubChem CID79357119
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Nameethyl 2-fluoro-2-propan-2-yloxyacetate
SMILESCCOC(=O)C(F)OC(C)C
InChIInChI=1S/C7H13FO3/c1-4-10-7(9)6(8)11-5(2)3/h5-6H,4H2,1-3H3
InChIKeyCTNPLISBMRFZKJ-UHFFFAOYSA-N
XLogP1.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-propan-2-yloxyacetate?
The IUPAC name of ethyl 2-fluoro-2-propan-2-yloxyacetate (CID 79357119) is ethyl 2-fluoro-2-propan-2-yloxyacetate.
What is the SMILES notation for ethyl 2-fluoro-2-propan-2-yloxyacetate?
The canonical SMILES for ethyl 2-fluoro-2-propan-2-yloxyacetate is CCOC(=O)C(F)OC(C)C.
What is the InChIKey of ethyl 2-fluoro-2-propan-2-yloxyacetate?
The InChIKey is CTNPLISBMRFZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3/c1-4-10-7(9)6(8)11-5(2)3/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-propan-2-yloxyacetate?
ethyl 2-fluoro-2-propan-2-yloxyacetate has a molecular weight of 164.18 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-propan-2-yloxyacetate is sourced from PubChem (CID 79357119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).