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

C14H15F3O2 — CID 743265

IUPAC(6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one
SMILESCC1(C)CC(=O)C[C@@](c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C14H15F3O2/c1-12(2)8-11(18)9-13(19-12,14(15,16)17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/t13-/m1/s1
InChIKeyADUYBQMUWKTOQB-CYBMUJFWSA-N
MW272.27 g/mol
LogP3.60
Rot. Bonds1

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

(6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one (PubChem CID 743265) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is (6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one.

Molecular Properties

Compound Name(6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one
PubChem CID743265
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name(6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one
SMILESCC1(C)CC(=O)C[C@@](c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C14H15F3O2/c1-12(2)8-11(18)9-13(19-12,14(15,16)17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/t13-/m1/s1
InChIKeyADUYBQMUWKTOQB-CYBMUJFWSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
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2,2-dichloro-1,1,3,3-tetramethyl-6-phenyl-6-(trifluoromethyl)-5-oxa-8-thiaspiro[3.4]octane
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(1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one
CID 132839315
2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium
CID 72714268
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2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
CID 14874563
4-methyl-3-phenyl-3-(trifluoromethyl)-4H-isochromen-1-one
CID 154720302
2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethyl-4-oxophosphinan-1-yl)phenyl]phosphinan-4-one
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Frequently Asked Questions

What is the IUPAC name of (6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one?
The IUPAC name of (6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one (CID 743265) is (6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one.
What is the SMILES notation for (6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one?
The canonical SMILES for (6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one is CC1(C)CC(=O)C[C@@](c2ccccc2)(C(F)(F)F)O1.
What is the InChIKey of (6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one?
The InChIKey is ADUYBQMUWKTOQB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-12(2)8-11(18)9-13(19-12,14(15,16)17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one?
(6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one has a molecular weight of 272.27 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one is sourced from PubChem (CID 743265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).