2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate

C12H19FO5 — CID 123944297

IUPAC2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate
SMILESCC(=O)OCCC1OC(COC(C)=O)C(F)C1C
InChIInChI=1S/C12H19FO5/c1-7-10(4-5-16-8(2)14)18-11(12(7)13)6-17-9(3)15/h7,10-12H,4-6H2,1-3H3
InChIKeyAJCZSLKOTSQXHP-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.24
Rot. Bonds5

About 2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate

2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate (PubChem CID 123944297) has the molecular formula C12H19FO5 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate
PubChem CID123944297
Molecular FormulaC12H19FO5
Molecular Weight262.28 g/mol
Exact Mass262.12
IUPAC Name2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate
SMILESCC(=O)OCCC1OC(COC(C)=O)C(F)C1C
InChIInChI=1S/C12H19FO5/c1-7-10(4-5-16-8(2)14)18-11(12(7)13)6-17-9(3)15/h7,10-12H,4-6H2,1-3H3
InChIKeyAJCZSLKOTSQXHP-UHFFFAOYSA-N
XLogP1.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate?
The IUPAC name of 2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate (CID 123944297) is 2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate.
What is the SMILES notation for 2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate?
The canonical SMILES for 2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate is CC(=O)OCCC1OC(COC(C)=O)C(F)C1C.
What is the InChIKey of 2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate?
The InChIKey is AJCZSLKOTSQXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO5/c1-7-10(4-5-16-8(2)14)18-11(12(7)13)6-17-9(3)15/h7,10-12H,4-6H2,1-3H3.
What are the key properties of 2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate?
2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate has a molecular weight of 262.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(acetyloxymethyl)-4-fluoro-3-methyloxolan-2-yl]ethyl acetate is sourced from PubChem (CID 123944297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).