(3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate

C15H23FO7 — CID 156848823

IUPAC(3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate
SMILESCC(=O)OCC1OC(C(C)C)C(F)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C15H23FO7/c1-7(2)13-12(16)15(22-10(5)19)14(21-9(4)18)11(23-13)6-20-8(3)17/h7,11-15H,6H2,1-5H3
InChIKeyMFWNFICJSROQLR-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.17
Rot. Bonds5

About (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate

(3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate (PubChem CID 156848823) has the molecular formula C15H23FO7 and a molecular weight of 334.34 g/mol. Its IUPAC name is (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate.

Molecular Properties

Compound Name(3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate
PubChem CID156848823
Molecular FormulaC15H23FO7
Molecular Weight334.34 g/mol
Exact Mass334.14
IUPAC Name(3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate
SMILESCC(=O)OCC1OC(C(C)C)C(F)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C15H23FO7/c1-7(2)13-12(16)15(22-10(5)19)14(21-9(4)18)11(23-13)6-20-8(3)17/h7,11-15H,6H2,1-5H3
InChIKeyMFWNFICJSROQLR-UHFFFAOYSA-N
XLogP1.17
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate?
The IUPAC name of (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate (CID 156848823) is (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate.
What is the SMILES notation for (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate?
The canonical SMILES for (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate is CC(=O)OCC1OC(C(C)C)C(F)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate?
The InChIKey is MFWNFICJSROQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO7/c1-7(2)13-12(16)15(22-10(5)19)14(21-9(4)18)11(23-13)6-20-8(3)17/h7,11-15H,6H2,1-5H3.
What are the key properties of (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate?
(3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate has a molecular weight of 334.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diacetyloxy-5-fluoro-6-propan-2-yloxan-2-yl)methyl acetate is sourced from PubChem (CID 156848823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).