(4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one

C13H13FO4 — CID 145173448

IUPAC(4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one
SMILESO=C1CO[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1F
InChIInChI=1S/C13H13FO4/c14-11-9(15)6-16-10-7-17-13(18-12(10)11)8-4-2-1-3-5-8/h1-5,10-13H,6-7H2/t10-,11-,12-,13?/m1/s1
InChIKeyJNGBSFZZKHUAKY-PFGBXZAXSA-N
MW252.24 g/mol
LogP1.41
Rot. Bonds1

About (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one

(4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one (PubChem CID 145173448) has the molecular formula C13H13FO4 and a molecular weight of 252.24 g/mol. Its IUPAC name is (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one.

Molecular Properties

Compound Name(4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one
PubChem CID145173448
Molecular FormulaC13H13FO4
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name(4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one
SMILESO=C1CO[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1F
InChIInChI=1S/C13H13FO4/c14-11-9(15)6-16-10-7-17-13(18-12(10)11)8-4-2-1-3-5-8/h1-5,10-13H,6-7H2/t10-,11-,12-,13?/m1/s1
InChIKeyJNGBSFZZKHUAKY-PFGBXZAXSA-N
XLogP1.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one with MolForge

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Related Compounds

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(-)-2-Benzyloxy-1-[(2S,3R)-3-(2,2-dimethoxy-ethyl)-oxiranyl]-ethanone
CID 23640760
(+)-2-Benzyloxy-1-[(2R,3S)-3-(2,2-dimethoxy-ethyl)-oxiranyl]-ethanone
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Mls003107267
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methyl (1S,3S,6R,8S)-3-phenyl-2,4,7-trioxabicyclo[4.2.0]octane-8-carboxylate
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CID 40488398
(4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-one
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6-Deoxy-1,2-O-(1-methylethylidene)-3-O-(phenylmethyl)-alpha-D-xylo-hexofuranos-5-ulose
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(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde
CID 11252764
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Frequently Asked Questions

What is the IUPAC name of (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one?
The IUPAC name of (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one (CID 145173448) is (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one.
What is the SMILES notation for (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one?
The canonical SMILES for (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one is O=C1CO[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1F.
What is the InChIKey of (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one?
The InChIKey is JNGBSFZZKHUAKY-PFGBXZAXSA-N. The full InChI is InChI=1S/C13H13FO4/c14-11-9(15)6-16-10-7-17-13(18-12(10)11)8-4-2-1-3-5-8/h1-5,10-13H,6-7H2/t10-,11-,12-,13?/m1/s1.
What are the key properties of (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one?
(4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one has a molecular weight of 252.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8S,8aR)-8-fluoro-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-7-one is sourced from PubChem (CID 145173448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).