(2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one

C19H17F3O3 — CID 14583904

IUPAC(2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one
SMILESO=C1C[C@H](OCc2ccccc2)O[C@](c2ccccc2)(C(F)(F)F)C1
InChIInChI=1S/C19H17F3O3/c20-19(21,22)18(15-9-5-2-6-10-15)12-16(23)11-17(25-18)24-13-14-7-3-1-4-8-14/h1-10,17H,11-13H2/t17-,18-/m1/s1
InChIKeyKTDMGIBDRONWHI-QZTJIDSGSA-N
MW350.34 g/mol
LogP4.37
Rot. Bonds4

About (2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one

(2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one (PubChem CID 14583904) has the molecular formula C19H17F3O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is (2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one.

Molecular Properties

Compound Name(2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one
PubChem CID14583904
Molecular FormulaC19H17F3O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name(2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one
SMILESO=C1C[C@H](OCc2ccccc2)O[C@](c2ccccc2)(C(F)(F)F)C1
InChIInChI=1S/C19H17F3O3/c20-19(21,22)18(15-9-5-2-6-10-15)12-16(23)11-17(25-18)24-13-14-7-3-1-4-8-14/h1-10,17H,11-13H2/t17-,18-/m1/s1
InChIKeyKTDMGIBDRONWHI-QZTJIDSGSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one?
The IUPAC name of (2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one (CID 14583904) is (2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one.
What is the SMILES notation for (2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one?
The canonical SMILES for (2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one is O=C1C[C@H](OCc2ccccc2)O[C@](c2ccccc2)(C(F)(F)F)C1.
What is the InChIKey of (2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one?
The InChIKey is KTDMGIBDRONWHI-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H17F3O3/c20-19(21,22)18(15-9-5-2-6-10-15)12-16(23)11-17(25-18)24-13-14-7-3-1-4-8-14/h1-10,17H,11-13H2/t17-,18-/m1/s1.
What are the key properties of (2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one?
(2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one has a molecular weight of 350.34 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one is sourced from PubChem (CID 14583904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).