3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol

C9H20F2O2Si — CID 123291363

IUPAC3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol
SMILESCC(O[Si](C)(C)C)C(F)(F)C(C)(C)O
InChIInChI=1S/C9H20F2O2Si/c1-7(13-14(4,5)6)9(10,11)8(2,3)12/h7,12H,1-6H3
InChIKeyGWTNAFPBZQRQMS-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.63
Rot. Bonds4

About 3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol

3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol (PubChem CID 123291363) has the molecular formula C9H20F2O2Si and a molecular weight of 226.34 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol
PubChem CID123291363
Molecular FormulaC9H20F2O2Si
Molecular Weight226.34 g/mol
Exact Mass226.12
IUPAC Name3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol
SMILESCC(O[Si](C)(C)C)C(F)(F)C(C)(C)O
InChIInChI=1S/C9H20F2O2Si/c1-7(13-14(4,5)6)9(10,11)8(2,3)12/h7,12H,1-6H3
InChIKeyGWTNAFPBZQRQMS-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.63
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 3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol?
The IUPAC name of 3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol (CID 123291363) is 3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol.
What is the SMILES notation for 3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol?
The canonical SMILES for 3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol is CC(O[Si](C)(C)C)C(F)(F)C(C)(C)O.
What is the InChIKey of 3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol?
The InChIKey is GWTNAFPBZQRQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2O2Si/c1-7(13-14(4,5)6)9(10,11)8(2,3)12/h7,12H,1-6H3.
What are the key properties of 3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol?
3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyl-4-trimethylsilyloxypentan-2-ol is sourced from PubChem (CID 123291363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).