[(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate

C10H13FO5 — CID 134894196

IUPAC[(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](C)OC=C(F)[C@@H]1OC(C)=O
InChIInChI=1S/C10H13FO5/c1-5-9(15-6(2)12)10(16-7(3)13)8(11)4-14-5/h4-5,9-10H,1-3H3/t5-,9-,10-/m0/s1
InChIKeyDVSIJQIOBYTJJR-AGEOJFDCSA-N
MW232.21 g/mol
LogP1.08
Rot. Bonds2

About [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate

[(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate (PubChem CID 134894196) has the molecular formula C10H13FO5 and a molecular weight of 232.21 g/mol. Its IUPAC name is [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
PubChem CID134894196
Molecular FormulaC10H13FO5
Molecular Weight232.21 g/mol
Exact Mass232.07
IUPAC Name[(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](C)OC=C(F)[C@@H]1OC(C)=O
InChIInChI=1S/C10H13FO5/c1-5-9(15-6(2)12)10(16-7(3)13)8(11)4-14-5/h4-5,9-10H,1-3H3/t5-,9-,10-/m0/s1
InChIKeyDVSIJQIOBYTJJR-AGEOJFDCSA-N
XLogP1.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate with MolForge

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Related Compounds

L-arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate
CID 2734733
Tri-O-acetyl-D-glucal
CID 688303
2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol triacetate
CID 640125
3,4,6-Tri-O-acetylglucal
CID 102891
1,5-Dianhydro-2,6-dideoxy-L-arabino-hex-1-enitol diacetate
CID 118189
((2R,3R,4S)-3,4-Bis(acetyloxy)-5-iodo-3,4-dihydro-2H-pyran-2-yl)methyl acetate
CID 102221012
3,4-Di-O-acetyl-L-arabinal
CID 7168229
[(3S,4R)-4-acetyloxy-3,4-dihydro-2H-pyran-3-yl] acetate
CID 2734730
3,4-Di-O-acetyl-d-arabinal
CID 8030588
[(3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 68047430
[(3R,4R)-3-acetyloxy-2-(fluoromethyl)-3,4-dihydro-2H-pyran-4-yl] acetate
CID 135039564
[(3S,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 24802551

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate (CID 134894196) is [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate is CC(=O)O[C@H]1[C@H](C)OC=C(F)[C@@H]1OC(C)=O.
What is the InChIKey of [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is DVSIJQIOBYTJJR-AGEOJFDCSA-N. The full InChI is InChI=1S/C10H13FO5/c1-5-9(15-6(2)12)10(16-7(3)13)8(11)4-14-5/h4-5,9-10H,1-3H3/t5-,9-,10-/m0/s1.
What are the key properties of [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate?
[(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 232.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-4-acetyloxy-5-fluoro-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 134894196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).