(2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane

C18H17F3O2 — CID 135016834

IUPAC(2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane
SMILESFC(F)(F)[C@@H]1O[C@H](c2ccccc2)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H17F3O2/c19-18(20,21)16-15(11-13-7-3-1-4-8-13)12-22-17(23-16)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-,17-/m1/s1
InChIKeyRBJIDWMTPXBNCX-BRWVUGGUSA-N
MW322.33 g/mol
LogP4.52
Rot. Bonds3

About (2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane

(2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane (PubChem CID 135016834) has the molecular formula C18H17F3O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is (2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane
PubChem CID135016834
Molecular FormulaC18H17F3O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name(2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane
SMILESFC(F)(F)[C@@H]1O[C@H](c2ccccc2)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H17F3O2/c19-18(20,21)16-15(11-13-7-3-1-4-8-13)12-22-17(23-16)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-,17-/m1/s1
InChIKeyRBJIDWMTPXBNCX-BRWVUGGUSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane?
The IUPAC name of (2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane (CID 135016834) is (2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane.
What is the SMILES notation for (2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane?
The canonical SMILES for (2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane is FC(F)(F)[C@@H]1O[C@H](c2ccccc2)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane?
The InChIKey is RBJIDWMTPXBNCX-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H17F3O2/c19-18(20,21)16-15(11-13-7-3-1-4-8-13)12-22-17(23-16)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-,17-/m1/s1.
What are the key properties of (2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane?
(2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane has a molecular weight of 322.33 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-benzyl-2-phenyl-4-(trifluoromethyl)-1,3-dioxane is sourced from PubChem (CID 135016834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).