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

C14H23FO5 — CID 170261293

IUPAC(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate
SMILESCCC1OC(C(C)C)C(F)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C14H23FO5/c1-6-10-13(18-8(4)16)14(19-9(5)17)11(15)12(20-10)7(2)3/h7,10-14H,6H2,1-5H3
InChIKeyIDNGDWBMICLVFY-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.02
Rot. Bonds4

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

(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate (PubChem CID 170261293) has the molecular formula C14H23FO5 and a molecular weight of 290.33 g/mol. Its IUPAC name is (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate
PubChem CID170261293
Molecular FormulaC14H23FO5
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate
SMILESCCC1OC(C(C)C)C(F)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C14H23FO5/c1-6-10-13(18-8(4)16)14(19-9(5)17)11(15)12(20-10)7(2)3/h7,10-14H,6H2,1-5H3
InChIKeyIDNGDWBMICLVFY-UHFFFAOYSA-N
XLogP2.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate?
The IUPAC name of (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate (CID 170261293) is (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate.
What is the SMILES notation for (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate?
The canonical SMILES for (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate is CCC1OC(C(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-yloxan-3-yl) acetate?
The InChIKey is IDNGDWBMICLVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO5/c1-6-10-13(18-8(4)16)14(19-9(5)17)11(15)12(20-10)7(2)3/h7,10-14H,6H2,1-5H3.
What are the key properties of (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate?
(4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate has a molecular weight of 290.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxan-3-yl) acetate is sourced from PubChem (CID 170261293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).