(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one

C19H21F3OSi — CID 16757036

IUPAC(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
SMILESCC(=O)C[C@H](c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H21F3OSi/c1-14(23)13-18(24(2,3)17-7-5-4-6-8-17)15-9-11-16(12-10-15)19(20,21)22/h4-12,18H,13H2,1-3H3/t18-/m1/s1
InChIKeyPADGNPIGIUEKGA-GOSISDBHSA-N
MW350.46 g/mol
LogP4.92
Rot. Bonds5

About (4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one

(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one (PubChem CID 16757036) has the molecular formula C19H21F3OSi and a molecular weight of 350.46 g/mol. Its IUPAC name is (4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one.

Molecular Properties

Compound Name(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
PubChem CID16757036
Molecular FormulaC19H21F3OSi
Molecular Weight350.46 g/mol
Exact Mass350.13
IUPAC Name(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
SMILESCC(=O)C[C@H](c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H21F3OSi/c1-14(23)13-18(24(2,3)17-7-5-4-6-8-17)15-9-11-16(12-10-15)19(20,21)22/h4-12,18H,13H2,1-3H3/t18-/m1/s1
InChIKeyPADGNPIGIUEKGA-GOSISDBHSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(Z,6R)-6-[dimethyl(phenyl)silyl]-4-methyl-6-[4-(trifluoromethyl)phenyl]hex-4-en-2-one
CID 135060755
[dimethyl(phenyl)silyl]-[4-(trifluoromethyl)phenyl]methanol
CID 56933855
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one
CID 552492
3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one
CID 584995
dimethyl-phenyl-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
CID 71663437
(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 10689220
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
3-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 63196921
1-[dimethyl(phenyl)silyl]-1-phenylpropan-2-one
CID 146161942
dimethyl-phenyl-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]silane
CID 134904582
1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one
CID 59226926

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one?
The IUPAC name of (4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one (CID 16757036) is (4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one.
What is the SMILES notation for (4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one?
The canonical SMILES for (4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one is CC(=O)C[C@H](c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one?
The InChIKey is PADGNPIGIUEKGA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21F3OSi/c1-14(23)13-18(24(2,3)17-7-5-4-6-8-17)15-9-11-16(12-10-15)19(20,21)22/h4-12,18H,13H2,1-3H3/t18-/m1/s1.
What are the key properties of (4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one?
(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one is sourced from PubChem (CID 16757036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).