1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol

C18H21F3OSi — CID 101475604

IUPAC1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol
SMILESCC(O)(c1ccc(C(F)(F)F)cc1)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C18H21F3OSi/c1-17(22,13-5-7-15(8-6-13)18(19,20)21)14-9-11-16(12-10-14)23(2,3)4/h5-12,22H,1-4H3
InChIKeyBMEKASCBNJJBIL-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.51
Rot. Bonds3

About 1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol

1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol (PubChem CID 101475604) has the molecular formula C18H21F3OSi and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol
PubChem CID101475604
Molecular FormulaC18H21F3OSi
Molecular Weight338.45 g/mol
Exact Mass338.13
IUPAC Name1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol
SMILESCC(O)(c1ccc(C(F)(F)F)cc1)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C18H21F3OSi/c1-17(22,13-5-7-15(8-6-13)18(19,20)21)14-9-11-16(12-10-14)23(2,3)4/h5-12,22H,1-4H3
InChIKeyBMEKASCBNJJBIL-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol (CID 101475604) is 1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol is CC(O)(c1ccc(C(F)(F)F)cc1)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol?
The InChIKey is BMEKASCBNJJBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3OSi/c1-17(22,13-5-7-15(8-6-13)18(19,20)21)14-9-11-16(12-10-14)23(2,3)4/h5-12,22H,1-4H3.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol?
1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol has a molecular weight of 338.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol is sourced from PubChem (CID 101475604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).