(2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one

C18H13F3O2 — CID 102487045

IUPAC(2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one
SMILESO=C1C=C(c2ccccc2)C[C@@](c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C18H13F3O2/c19-18(20,21)17(15-9-5-2-6-10-15)12-14(11-16(22)23-17)13-7-3-1-4-8-13/h1-11H,12H2/t17-/m1/s1
InChIKeyCVWWQEBRDQZBGX-QGZVFWFLSA-N
MW318.29 g/mol
LogP4.47
Rot. Bonds2

About (2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one

(2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one (PubChem CID 102487045) has the molecular formula C18H13F3O2 and a molecular weight of 318.29 g/mol. Its IUPAC name is (2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one.

Molecular Properties

Compound Name(2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one
PubChem CID102487045
Molecular FormulaC18H13F3O2
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name(2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one
SMILESO=C1C=C(c2ccccc2)C[C@@](c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C18H13F3O2/c19-18(20,21)17(15-9-5-2-6-10-15)12-14(11-16(22)23-17)13-7-3-1-4-8-13/h1-11H,12H2/t17-/m1/s1
InChIKeyCVWWQEBRDQZBGX-QGZVFWFLSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.47
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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(5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione
CID 162418224
2-oxido-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazol-2-ium
CID 72714268
methyl (2S)-6-oxo-4-phenyl-2-[(E)-2-phenylethenyl]-3H-pyran-2-carboxylate
CID 138979264
(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione
CID 122221121
(2R)-2-phenyl-2-(trifluoromethyl)morpholine
CID 95240865
2-phenyl-2-(trifluoromethyl)-8-oxatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene-7,9-dione
CID 141229863
4-phenyl-1-oxaspiro[4.4]non-3-en-2-one
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6,6-diphenyloxan-2-one
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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one?
The IUPAC name of (2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one (CID 102487045) is (2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one.
What is the SMILES notation for (2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one?
The canonical SMILES for (2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one is O=C1C=C(c2ccccc2)C[C@@](c2ccccc2)(C(F)(F)F)O1.
What is the InChIKey of (2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one?
The InChIKey is CVWWQEBRDQZBGX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13F3O2/c19-18(20,21)17(15-9-5-2-6-10-15)12-14(11-16(22)23-17)13-7-3-1-4-8-13/h1-11H,12H2/t17-/m1/s1.
What are the key properties of (2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one?
(2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one has a molecular weight of 318.29 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one is sourced from PubChem (CID 102487045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).