methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate

C11H17FO5 — CID 122607477

IUPACmethyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate
SMILESCOC(=O)C1OC(F)C(OC(C)=O)C(C)C1C
InChIInChI=1S/C11H17FO5/c1-5-6(2)9(11(14)15-4)17-10(12)8(5)16-7(3)13/h5-6,8-10H,1-4H3
InChIKeyJXTBQVFELONKSW-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.06
Rot. Bonds2

About methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate

methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate (PubChem CID 122607477) has the molecular formula C11H17FO5 and a molecular weight of 248.25 g/mol. Its IUPAC name is methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate
PubChem CID122607477
Molecular FormulaC11H17FO5
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Namemethyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate
SMILESCOC(=O)C1OC(F)C(OC(C)=O)C(C)C1C
InChIInChI=1S/C11H17FO5/c1-5-6(2)9(11(14)15-4)17-10(12)8(5)16-7(3)13/h5-6,8-10H,1-4H3
InChIKeyJXTBQVFELONKSW-UHFFFAOYSA-N
XLogP1.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate?
The IUPAC name of methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate (CID 122607477) is methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate.
What is the SMILES notation for methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate?
The canonical SMILES for methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate is COC(=O)C1OC(F)C(OC(C)=O)C(C)C1C.
What is the InChIKey of methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate?
The InChIKey is JXTBQVFELONKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO5/c1-5-6(2)9(11(14)15-4)17-10(12)8(5)16-7(3)13/h5-6,8-10H,1-4H3.
What are the key properties of methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate?
methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate has a molecular weight of 248.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyloxy-6-fluoro-3,4-dimethyloxane-2-carboxylate is sourced from PubChem (CID 122607477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).