1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol

C19H31F3O2Si — CID 134832651

IUPAC1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol
SMILESCC(C)[Si](OCc1ccccc1C(C)(O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C19H31F3O2Si/c1-13(2)25(14(3)4,15(5)6)24-12-16-10-8-9-11-17(16)18(7,23)19(20,21)22/h8-11,13-15,23H,12H2,1-7H3
InChIKeyQASPUFXFCWLMTD-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.15
Rot. Bonds7

About 1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol

1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol (PubChem CID 134832651) has the molecular formula C19H31F3O2Si and a molecular weight of 376.54 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol
PubChem CID134832651
Molecular FormulaC19H31F3O2Si
Molecular Weight376.54 g/mol
Exact Mass376.20
IUPAC Name1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol
SMILESCC(C)[Si](OCc1ccccc1C(C)(O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C19H31F3O2Si/c1-13(2)25(14(3)4,15(5)6)24-12-16-10-8-9-11-17(16)18(7,23)19(20,21)22/h8-11,13-15,23H,12H2,1-7H3
InChIKeyQASPUFXFCWLMTD-UHFFFAOYSA-N
XLogP6.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.15
H-Bond Donors ≤ 51
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 1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol (CID 134832651) is 1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol is CC(C)[Si](OCc1ccccc1C(C)(O)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of 1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol?
The InChIKey is QASPUFXFCWLMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3O2Si/c1-13(2)25(14(3)4,15(5)6)24-12-16-10-8-9-11-17(16)18(7,23)19(20,21)22/h8-11,13-15,23H,12H2,1-7H3.
What are the key properties of 1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol?
1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol has a molecular weight of 376.54 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol is sourced from PubChem (CID 134832651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).