[(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate

C13H19FO7 — CID 164844020

IUPAC[(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1F
InChIInChI=1S/C13H19FO7/c1-6(15)17-5-8(18-7(2)16)10-9(14)11-12(19-10)21-13(3,4)20-11/h8-12H,5H2,1-4H3/t8-,9+,10-,11-,12-/m1/s1
InChIKeyRHXJPKBGLQAIEZ-IYKVGLELSA-N
MW306.29 g/mol
LogP0.70
Rot. Bonds4

About [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate

[(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate (PubChem CID 164844020) has the molecular formula C13H19FO7 and a molecular weight of 306.29 g/mol. Its IUPAC name is [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate
PubChem CID164844020
Molecular FormulaC13H19FO7
Molecular Weight306.29 g/mol
Exact Mass306.11
IUPAC Name[(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1F
InChIInChI=1S/C13H19FO7/c1-6(15)17-5-8(18-7(2)16)10-9(14)11-12(19-10)21-13(3,4)20-11/h8-12H,5H2,1-4H3/t8-,9+,10-,11-,12-/m1/s1
InChIKeyRHXJPKBGLQAIEZ-IYKVGLELSA-N
XLogP0.70
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate?
The IUPAC name of [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate (CID 164844020) is [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate.
What is the SMILES notation for [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate?
The canonical SMILES for [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate is CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1F.
What is the InChIKey of [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate?
The InChIKey is RHXJPKBGLQAIEZ-IYKVGLELSA-N. The full InChI is InChI=1S/C13H19FO7/c1-6(15)17-5-8(18-7(2)16)10-9(14)11-12(19-10)21-13(3,4)20-11/h8-12H,5H2,1-4H3/t8-,9+,10-,11-,12-/m1/s1.
What are the key properties of [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate?
[(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate has a molecular weight of 306.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate is sourced from PubChem (CID 164844020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).