[(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate

C10H14F2O5 — CID 23234523

IUPAC[(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](F)[C@H](F)O[C@H]1C
InChIInChI=1S/C10H14F2O5/c1-4-8(16-5(2)13)9(17-6(3)14)7(11)10(12)15-4/h4,7-10H,1-3H3/t4-,7+,8-,9-,10+/m0/s1
InChIKeyTWYDKEONPLQEIE-ZPLJAGBHSA-N
MW252.21 g/mol
LogP0.90
Rot. Bonds2

About [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate

[(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate (PubChem CID 23234523) has the molecular formula C10H14F2O5 and a molecular weight of 252.21 g/mol. Its IUPAC name is [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate
PubChem CID23234523
Molecular FormulaC10H14F2O5
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name[(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](F)[C@H](F)O[C@H]1C
InChIInChI=1S/C10H14F2O5/c1-4-8(16-5(2)13)9(17-6(3)14)7(11)10(12)15-4/h4,7-10H,1-3H3/t4-,7+,8-,9-,10+/m0/s1
InChIKeyTWYDKEONPLQEIE-ZPLJAGBHSA-N
XLogP0.90
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate with MolForge

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Related Compounds

[(2S,3S,4R,5R,6R)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate
CID 23234522
[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-fluoro-2-methyloxan-3-yl] acetate
CID 124525156
[(2R,3R,4S,5S,6S)-4-acetyloxy-5-bromo-6-fluoro-2-methyloxan-3-yl] acetate
CID 101034415
[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate
CID 10590753
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 34174531
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929
[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-6-ethyl-2-methyloxan-3-yl] acetate
CID 90364742
2-[(2S,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]acetic acid
CID 15343953
[(3S,4S)-4-acetyloxy-5-(chloromethyl)-2-methyloxolan-3-yl] acetate
CID 59591654
[(2S,3S,5R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70923261
[(3S,4S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70841955
[(3R,4S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 71196175

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate?
The IUPAC name of [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate (CID 23234523) is [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate.
What is the SMILES notation for [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate?
The canonical SMILES for [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate is CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](F)[C@H](F)O[C@H]1C.
What is the InChIKey of [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate?
The InChIKey is TWYDKEONPLQEIE-ZPLJAGBHSA-N. The full InChI is InChI=1S/C10H14F2O5/c1-4-8(16-5(2)13)9(17-6(3)14)7(11)10(12)15-4/h4,7-10H,1-3H3/t4-,7+,8-,9-,10+/m0/s1.
What are the key properties of [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate?
[(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate has a molecular weight of 252.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate is sourced from PubChem (CID 23234523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).