(4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane

C17H17FO2 — CID 171383620

IUPAC(4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane
SMILESFc1ccccc1C[C@@H]1COCO[C@H]1c1ccccc1
InChIInChI=1S/C17H17FO2/c18-16-9-5-4-8-14(16)10-15-11-19-12-20-17(15)13-6-2-1-3-7-13/h1-9,15,17H,10-12H2/t15-,17+/m1/s1
InChIKeyUMQVYVFIOREKNQ-WBVHZDCISA-N
MW272.32 g/mol
LogP3.73
Rot. Bonds3

About (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane

(4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane (PubChem CID 171383620) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane
PubChem CID171383620
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name(4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane
SMILESFc1ccccc1C[C@@H]1COCO[C@H]1c1ccccc1
InChIInChI=1S/C17H17FO2/c18-16-9-5-4-8-14(16)10-15-11-19-12-20-17(15)13-6-2-1-3-7-13/h1-9,15,17H,10-12H2/t15-,17+/m1/s1
InChIKeyUMQVYVFIOREKNQ-WBVHZDCISA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane?
The IUPAC name of (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane (CID 171383620) is (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane.
What is the SMILES notation for (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane?
The canonical SMILES for (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane is Fc1ccccc1C[C@@H]1COCO[C@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane?
The InChIKey is UMQVYVFIOREKNQ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H17FO2/c18-16-9-5-4-8-14(16)10-15-11-19-12-20-17(15)13-6-2-1-3-7-13/h1-9,15,17H,10-12H2/t15-,17+/m1/s1.
What are the key properties of (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane?
(4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane has a molecular weight of 272.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(2-fluorophenyl)methyl]-4-phenyl-1,3-dioxane is sourced from PubChem (CID 171383620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).