[(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate

C11H10F6O7 — CID 44518465

IUPAC[(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate
SMILESCC(=O)OC1C[C@H](OC(=O)C(F)(F)F)[C@@H](COC(=O)C(F)(F)F)O1
InChIInChI=1S/C11H10F6O7/c1-4(18)22-7-2-5(24-9(20)11(15,16)17)6(23-7)3-21-8(19)10(12,13)14/h5-7H,2-3H2,1H3/t5-,6+,7?/m0/s1
InChIKeyBITJKLVMNQNDGW-GFCOJPQKSA-N
MW368.18 g/mol
LogP1.24
Rot. Bonds4

About [(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate

[(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate (PubChem CID 44518465) has the molecular formula C11H10F6O7 and a molecular weight of 368.18 g/mol. Its IUPAC name is [(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate
PubChem CID44518465
Molecular FormulaC11H10F6O7
Molecular Weight368.18 g/mol
Exact Mass368.03
IUPAC Name[(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate
SMILESCC(=O)OC1C[C@H](OC(=O)C(F)(F)F)[C@@H](COC(=O)C(F)(F)F)O1
InChIInChI=1S/C11H10F6O7/c1-4(18)22-7-2-5(24-9(20)11(15,16)17)6(23-7)3-21-8(19)10(12,13)14/h5-7H,2-3H2,1H3/t5-,6+,7?/m0/s1
InChIKeyBITJKLVMNQNDGW-GFCOJPQKSA-N
XLogP1.24
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681
[(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
[(2R,3R)-5-acetyloxy-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 71776144
[(2R,3S)-5-acetyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate
CID 102461653
[6-methoxy-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]oxan-2-yl]methyl 2,2,2-trifluoroacetate
CID 550492
[(2S,3R,4R,6R)-3,6-diacetyloxy-2-(trifluoromethyl)oxan-4-yl] acetate
CID 67569005
[(2S,3R,4S,6R)-3,6-diacetyloxy-2-(chloromethyl)oxan-4-yl] acetate
CID 118225451
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 11012146
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
CID 90165528

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate?
The IUPAC name of [(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate (CID 44518465) is [(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate?
The canonical SMILES for [(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate is CC(=O)OC1C[C@H](OC(=O)C(F)(F)F)[C@@H](COC(=O)C(F)(F)F)O1.
What is the InChIKey of [(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate?
The InChIKey is BITJKLVMNQNDGW-GFCOJPQKSA-N. The full InChI is InChI=1S/C11H10F6O7/c1-4(18)22-7-2-5(24-9(20)11(15,16)17)6(23-7)3-21-8(19)10(12,13)14/h5-7H,2-3H2,1H3/t5-,6+,7?/m0/s1.
What are the key properties of [(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate?
[(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate has a molecular weight of 368.18 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 44518465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).