[(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate

C12H17FO7 — CID 134366275

IUPAC[(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@]1(CF)OC[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C12H17FO7/c1-7(14)17-6-12(5-13)11(20-9(3)16)10(4-18-12)19-8(2)15/h10-11H,4-6H2,1-3H3/t10-,11-,12+/m0/s1
InChIKeyFCASBDHHOLQCLI-SDDRHHMPSA-N
MW292.26 g/mol
LogP0.15
Rot. Bonds5

About [(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate

[(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate (PubChem CID 134366275) has the molecular formula C12H17FO7 and a molecular weight of 292.26 g/mol. Its IUPAC name is [(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate
PubChem CID134366275
Molecular FormulaC12H17FO7
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name[(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@]1(CF)OC[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C12H17FO7/c1-7(14)17-6-12(5-13)11(20-9(3)16)10(4-18-12)19-8(2)15/h10-11H,4-6H2,1-3H3/t10-,11-,12+/m0/s1
InChIKeyFCASBDHHOLQCLI-SDDRHHMPSA-N
XLogP0.15
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.15
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

[(3S,4R,5R)-3,4,5-triacetyloxy-2-hydroxyoxan-2-yl]methyl acetate
CID 91082110
[(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate
CID 70985270
[(2S,3S,4R,5R)-3,4,5-triacetyloxy-2-phenylsulfanyloxan-2-yl]methyl acetate
CID 23247648
[(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxy-2-methyloxan-2-yl]methyl acetate
CID 90402087
[(2S,3R,4R)-4-acetyloxy-2-ethyl-3-methyloxolan-2-yl]methyl benzoate
CID 59509731
[(3S,3aR,6R,6aR)-6-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 118973915
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 70902422
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-cyano-6-fluorooxan-3-yl] acetate
CID 100916550
[(2S,3S,4S)-3,4-diacetyloxy-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolan-2-yl]methyl acetate
CID 69318471
[(2R,3R,4S,5R)-3-acetyloxy-4-chloro-2-(fluoromethyl)-5-(2-hydroxy-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 134575785
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030
methyl (2S,3S,4R,5R)-3,4,5-triacetyloxy-2-bromooxane-2-carboxylate
CID 134870060

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate (CID 134366275) is [(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate is CC(=O)OC[C@@]1(CF)OC[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate?
The InChIKey is FCASBDHHOLQCLI-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H17FO7/c1-7(14)17-6-12(5-13)11(20-9(3)16)10(4-18-12)19-8(2)15/h10-11H,4-6H2,1-3H3/t10-,11-,12+/m0/s1.
What are the key properties of [(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate?
[(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate has a molecular weight of 292.26 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 134366275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).