3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one

C19H18F6O2Si — CID 162420074

IUPAC3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one
SMILESC[Si](C)(C)OC(C(=O)c1ccccc1)(c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C19H18F6O2Si/c1-28(2,3)27-17(19(23,24)25,16(26)13-7-5-4-6-8-13)14-9-11-15(12-10-14)18(20,21)22/h4-12H,1-3H3
InChIKeyHEKTXJJBTYEMLO-UHFFFAOYSA-N
MW420.43 g/mol
LogP6.20
Rot. Bonds5

About 3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one

3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one (PubChem CID 162420074) has the molecular formula C19H18F6O2Si and a molecular weight of 420.43 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one
PubChem CID162420074
Molecular FormulaC19H18F6O2Si
Molecular Weight420.43 g/mol
Exact Mass420.10
IUPAC Name3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one
SMILESC[Si](C)(C)OC(C(=O)c1ccccc1)(c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C19H18F6O2Si/c1-28(2,3)27-17(19(23,24)25,16(26)13-7-5-4-6-8-13)14-9-11-15(12-10-14)18(20,21)22/h4-12H,1-3H3
InChIKeyHEKTXJJBTYEMLO-UHFFFAOYSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one (CID 162420074) is 3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one is C[Si](C)(C)OC(C(=O)c1ccccc1)(c1ccc(C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one?
The InChIKey is HEKTXJJBTYEMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6O2Si/c1-28(2,3)27-17(19(23,24)25,16(26)13-7-5-4-6-8-13)14-9-11-15(12-10-14)18(20,21)22/h4-12H,1-3H3.
What are the key properties of 3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one?
3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one has a molecular weight of 420.43 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxypropan-1-one is sourced from PubChem (CID 162420074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).