1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol

C10H13F3OSi — CID 155931070

IUPAC1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol
SMILESC[Si](C)(c1ccccc1)C(O)C(F)(F)F
InChIInChI=1S/C10H13F3OSi/c1-15(2,9(14)10(11,12)13)8-6-4-3-5-7-8/h3-7,9,14H,1-2H3
InChIKeyHINBPTNRADHQQJ-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.06
Rot. Bonds2

About 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol

1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol (PubChem CID 155931070) has the molecular formula C10H13F3OSi and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol
PubChem CID155931070
Molecular FormulaC10H13F3OSi
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol
SMILESC[Si](C)(c1ccccc1)C(O)C(F)(F)F
InChIInChI=1S/C10H13F3OSi/c1-15(2,9(14)10(11,12)13)8-6-4-3-5-7-8/h3-7,9,14H,1-2H3
InChIKeyHINBPTNRADHQQJ-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.06
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-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol (CID 155931070) is 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol is C[Si](C)(c1ccccc1)C(O)C(F)(F)F.
What is the InChIKey of 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol?
The InChIKey is HINBPTNRADHQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3OSi/c1-15(2,9(14)10(11,12)13)8-6-4-3-5-7-8/h3-7,9,14H,1-2H3.
What are the key properties of 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol?
1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol has a molecular weight of 234.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 155931070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).