(3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol

C10H21F3O2Si — CID 168879922

IUPAC(3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol
SMILESCC[Si](CC)(CC)O[C@H](CCO)C(F)(F)F
InChIInChI=1S/C10H21F3O2Si/c1-4-16(5-2,6-3)15-9(7-8-14)10(11,12)13/h9,14H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyGLXFZXNPRUTATJ-SECBINFHSA-N
MW258.36 g/mol
LogP3.32
Rot. Bonds7

About (3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol

(3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol (PubChem CID 168879922) has the molecular formula C10H21F3O2Si and a molecular weight of 258.36 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol
PubChem CID168879922
Molecular FormulaC10H21F3O2Si
Molecular Weight258.36 g/mol
Exact Mass258.13
IUPAC Name(3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol
SMILESCC[Si](CC)(CC)O[C@H](CCO)C(F)(F)F
InChIInChI=1S/C10H21F3O2Si/c1-4-16(5-2,6-3)15-9(7-8-14)10(11,12)13/h9,14H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyGLXFZXNPRUTATJ-SECBINFHSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.32
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 (3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol?
The IUPAC name of (3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol (CID 168879922) is (3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol is CC[Si](CC)(CC)O[C@H](CCO)C(F)(F)F.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol?
The InChIKey is GLXFZXNPRUTATJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H21F3O2Si/c1-4-16(5-2,6-3)15-9(7-8-14)10(11,12)13/h9,14H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol?
(3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-triethylsilyloxybutan-1-ol is sourced from PubChem (CID 168879922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).