[(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate

C10H15FO5 — CID 101465019

IUPAC[(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate
SMILESCC(=O)OC1CC[C@H](OC(C)=O)[C@@H](CF)O1
InChIInChI=1S/C10H15FO5/c1-6(12)14-8-3-4-10(15-7(2)13)16-9(8)5-11/h8-10H,3-5H2,1-2H3/t8-,9+,10?/m0/s1
InChIKeyVVXATWIELLQQOO-QIIDTADFSA-N
MW234.22 g/mol
LogP0.96
Rot. Bonds3

About [(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate

[(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate (PubChem CID 101465019) has the molecular formula C10H15FO5 and a molecular weight of 234.22 g/mol. Its IUPAC name is [(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate
PubChem CID101465019
Molecular FormulaC10H15FO5
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name[(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate
SMILESCC(=O)OC1CC[C@H](OC(C)=O)[C@@H](CF)O1
InChIInChI=1S/C10H15FO5/c1-6(12)14-8-3-4-10(15-7(2)13)16-9(8)5-11/h8-10H,3-5H2,1-2H3/t8-,9+,10?/m0/s1
InChIKeyVVXATWIELLQQOO-QIIDTADFSA-N
XLogP0.96
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate
CID 54559417
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(2S,3R,4S,6R)-3,6-diacetyloxy-2-(chloromethyl)oxan-4-yl] acetate
CID 118225451
[4,5,6-triacetyloxy-2-(fluoromethyl)oxan-3-yl] acetate
CID 539135
[(3S,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 71090759
[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 14078932
(4,6-diacetyloxy-3-methyloxan-2-yl)methyl acetate
CID 58326005
[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate
CID 100941844
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
CID 90165528
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681
(2-methoxycyclobutyl) acetate
CID 68941344
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate?
The IUPAC name of [(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate (CID 101465019) is [(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate.
What is the SMILES notation for [(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate?
The canonical SMILES for [(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate is CC(=O)OC1CC[C@H](OC(C)=O)[C@@H](CF)O1.
What is the InChIKey of [(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate?
The InChIKey is VVXATWIELLQQOO-QIIDTADFSA-N. The full InChI is InChI=1S/C10H15FO5/c1-6(12)14-8-3-4-10(15-7(2)13)16-9(8)5-11/h8-10H,3-5H2,1-2H3/t8-,9+,10?/m0/s1.
What are the key properties of [(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate?
[(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate has a molecular weight of 234.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate is sourced from PubChem (CID 101465019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).