(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate

C14H23FO6 — CID 170261283

IUPAC(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate
SMILESCCC1OC(OC(C)C)C(F)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C14H23FO6/c1-6-10-12(19-8(4)16)13(20-9(5)17)11(15)14(21-10)18-7(2)3/h7,10-14H,6H2,1-5H3
InChIKeyHSGIMXITOCROAM-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.75
Rot. Bonds5

About (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate

(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate (PubChem CID 170261283) has the molecular formula C14H23FO6 and a molecular weight of 306.33 g/mol. Its IUPAC name is (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate
PubChem CID170261283
Molecular FormulaC14H23FO6
Molecular Weight306.33 g/mol
Exact Mass306.15
IUPAC Name(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate
SMILESCCC1OC(OC(C)C)C(F)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C14H23FO6/c1-6-10-12(19-8(4)16)13(20-9(5)17)11(15)14(21-10)18-7(2)3/h7,10-14H,6H2,1-5H3
InChIKeyHSGIMXITOCROAM-UHFFFAOYSA-N
XLogP1.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate?
The IUPAC name of (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate (CID 170261283) is (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate.
What is the SMILES notation for (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate?
The canonical SMILES for (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate is CCC1OC(OC(C)C)C(F)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate?
The InChIKey is HSGIMXITOCROAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO6/c1-6-10-12(19-8(4)16)13(20-9(5)17)11(15)14(21-10)18-7(2)3/h7,10-14H,6H2,1-5H3.
What are the key properties of (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate?
(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate has a molecular weight of 306.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate is sourced from PubChem (CID 170261283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).