4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol

C9H19F3OSi — CID 22717491

IUPAC4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol
SMILESC[Si](C)(CCCCO)CCC(F)(F)F
InChIInChI=1S/C9H19F3OSi/c1-14(2,7-4-3-6-13)8-5-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyDYBQHUQZLQVHGM-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.42
Rot. Bonds6

About 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol

4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol (PubChem CID 22717491) has the molecular formula C9H19F3OSi and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol.

Molecular Properties

Compound Name4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol
PubChem CID22717491
Molecular FormulaC9H19F3OSi
Molecular Weight228.33 g/mol
Exact Mass228.12
IUPAC Name4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol
SMILESC[Si](C)(CCCCO)CCC(F)(F)F
InChIInChI=1S/C9H19F3OSi/c1-14(2,7-4-3-6-13)8-5-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyDYBQHUQZLQVHGM-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol?
The IUPAC name of 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol (CID 22717491) is 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol.
What is the SMILES notation for 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol?
The canonical SMILES for 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol is C[Si](C)(CCCCO)CCC(F)(F)F.
What is the InChIKey of 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol?
The InChIKey is DYBQHUQZLQVHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3OSi/c1-14(2,7-4-3-6-13)8-5-9(10,11)12/h13H,3-8H2,1-2H3.
What are the key properties of 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol?
4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol has a molecular weight of 228.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol is sourced from PubChem (CID 22717491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).