ethyl 2-fluoro-2-pentan-2-yloxyacetate

C9H17FO3 — CID 102980056

IUPACethyl 2-fluoro-2-pentan-2-yloxyacetate
SMILESCCCC(C)OC(F)C(=O)OCC
InChIInChI=1S/C9H17FO3/c1-4-6-7(3)13-8(10)9(11)12-5-2/h7-8H,4-6H2,1-3H3
InChIKeyHASQDVVQYASXSP-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.05
Rot. Bonds6

About ethyl 2-fluoro-2-pentan-2-yloxyacetate

ethyl 2-fluoro-2-pentan-2-yloxyacetate (PubChem CID 102980056) has the molecular formula C9H17FO3 and a molecular weight of 192.23 g/mol. Its IUPAC name is ethyl 2-fluoro-2-pentan-2-yloxyacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-pentan-2-yloxyacetate
PubChem CID102980056
Molecular FormulaC9H17FO3
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Nameethyl 2-fluoro-2-pentan-2-yloxyacetate
SMILESCCCC(C)OC(F)C(=O)OCC
InChIInChI=1S/C9H17FO3/c1-4-6-7(3)13-8(10)9(11)12-5-2/h7-8H,4-6H2,1-3H3
InChIKeyHASQDVVQYASXSP-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.05
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-pentan-2-yloxyacetate?
The IUPAC name of ethyl 2-fluoro-2-pentan-2-yloxyacetate (CID 102980056) is ethyl 2-fluoro-2-pentan-2-yloxyacetate.
What is the SMILES notation for ethyl 2-fluoro-2-pentan-2-yloxyacetate?
The canonical SMILES for ethyl 2-fluoro-2-pentan-2-yloxyacetate is CCCC(C)OC(F)C(=O)OCC.
What is the InChIKey of ethyl 2-fluoro-2-pentan-2-yloxyacetate?
The InChIKey is HASQDVVQYASXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO3/c1-4-6-7(3)13-8(10)9(11)12-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-pentan-2-yloxyacetate?
ethyl 2-fluoro-2-pentan-2-yloxyacetate has a molecular weight of 192.23 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-pentan-2-yloxyacetate is sourced from PubChem (CID 102980056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).