[3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate

C11H17FO7 — CID 129214216

IUPAC[3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate
SMILESCC(=O)OCC(COC(C)=O)OC(CF)OC(C)=O
InChIInChI=1S/C11H17FO7/c1-7(13)16-5-10(6-17-8(2)14)19-11(4-12)18-9(3)15/h10-11H,4-6H2,1-3H3
InChIKeyGBFPKANFWSETMK-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.36
Rot. Bonds8

About [3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate

[3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate (PubChem CID 129214216) has the molecular formula C11H17FO7 and a molecular weight of 280.25 g/mol. Its IUPAC name is [3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate.

Molecular Properties

Compound Name[3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate
PubChem CID129214216
Molecular FormulaC11H17FO7
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name[3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate
SMILESCC(=O)OCC(COC(C)=O)OC(CF)OC(C)=O
InChIInChI=1S/C11H17FO7/c1-7(13)16-5-10(6-17-8(2)14)19-11(4-12)18-9(3)15/h10-11H,4-6H2,1-3H3
InChIKeyGBFPKANFWSETMK-UHFFFAOYSA-N
XLogP0.36
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
azane;2,3-diacetyloxypropyl acetate;hydrochloride
CID 173356168
2,3-diacetyloxypropyl 2-methylprop-2-enoate
CID 18979747
(3-fluoro-2-hydroxypropyl) acetate
CID 130125053
1,3-diacetyloxypropan-2-yl propanoate
CID 90139803
[(2S,3S,4R,5S,6R,7S)-2,3,4,5,6,7,8-heptaacetyloxyoctyl] acetate
CID 10907981
2,3-diacetyloxypropyl 2-hydroperoxyacetate
CID 88932780
(2-acetyloxy-3-trimethylsilyloxypropyl) acetate
CID 91709764
2-acetyloxypropyl acetate;propan-2-one
CID 159489239
(2-acetyloxy-5-bromopentyl) acetate
CID 72961243
(2-acetyloxy-6-hydroxyhexyl) acetate
CID 12014749
(2-acetyloxy-3-butoxypropyl) acetate
CID 14173108

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate?
The IUPAC name of [3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate (CID 129214216) is [3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate.
What is the SMILES notation for [3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate?
The canonical SMILES for [3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate is CC(=O)OCC(COC(C)=O)OC(CF)OC(C)=O.
What is the InChIKey of [3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate?
The InChIKey is GBFPKANFWSETMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO7/c1-7(13)16-5-10(6-17-8(2)14)19-11(4-12)18-9(3)15/h10-11H,4-6H2,1-3H3.
What are the key properties of [3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate?
[3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate has a molecular weight of 280.25 g/mol, XLogP of 0.36, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-2-(1-acetyloxy-2-fluoroethoxy)propyl] acetate is sourced from PubChem (CID 129214216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).