(2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine

C14H16F2O4 — CID 134875687

IUPAC(2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine
SMILESCO[C@@H]1CC(F)(F)[C@@H]2O[C@H](c3ccccc3)CO[C@H]2O1
InChIInChI=1S/C14H16F2O4/c1-17-11-7-14(15,16)12-13(20-11)18-8-10(19-12)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11-,12+,13-/m0/s1
InChIKeyQORIKQLOKNLRKN-RVMXOQNASA-N
MW286.27 g/mol
LogP2.50
Rot. Bonds2

About (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine

(2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine (PubChem CID 134875687) has the molecular formula C14H16F2O4 and a molecular weight of 286.27 g/mol. Its IUPAC name is (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine.

Molecular Properties

Compound Name(2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine
PubChem CID134875687
Molecular FormulaC14H16F2O4
Molecular Weight286.27 g/mol
Exact Mass286.10
IUPAC Name(2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine
SMILESCO[C@@H]1CC(F)(F)[C@@H]2O[C@H](c3ccccc3)CO[C@H]2O1
InChIInChI=1S/C14H16F2O4/c1-17-11-7-14(15,16)12-13(20-11)18-8-10(19-12)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11-,12+,13-/m0/s1
InChIKeyQORIKQLOKNLRKN-RVMXOQNASA-N
XLogP2.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine?
The IUPAC name of (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine (CID 134875687) is (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine.
What is the SMILES notation for (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine?
The canonical SMILES for (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine is CO[C@@H]1CC(F)(F)[C@@H]2O[C@H](c3ccccc3)CO[C@H]2O1.
What is the InChIKey of (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine?
The InChIKey is QORIKQLOKNLRKN-RVMXOQNASA-N. The full InChI is InChI=1S/C14H16F2O4/c1-17-11-7-14(15,16)12-13(20-11)18-8-10(19-12)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11-,12+,13-/m0/s1.
What are the key properties of (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine?
(2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine has a molecular weight of 286.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,6S,8aR)-8,8-difluoro-6-methoxy-2-phenyl-2,3,4a,6,7,8a-hexahydropyrano[2,3-b][1,4]dioxine is sourced from PubChem (CID 134875687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).