3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol

C9H20F2O2Si — CID 91467778

IUPAC3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol
SMILESCCCC[Si](C)(C)OCC(F)(F)CO
InChIInChI=1S/C9H20F2O2Si/c1-4-5-6-14(2,3)13-8-9(10,11)7-12/h12H,4-8H2,1-3H3
InChIKeyMUWOZBOLUXAXBY-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.64
Rot. Bonds7

About 3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol

3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol (PubChem CID 91467778) has the molecular formula C9H20F2O2Si and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol
PubChem CID91467778
Molecular FormulaC9H20F2O2Si
Molecular Weight226.34 g/mol
Exact Mass226.12
IUPAC Name3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol
SMILESCCCC[Si](C)(C)OCC(F)(F)CO
InChIInChI=1S/C9H20F2O2Si/c1-4-5-6-14(2,3)13-8-9(10,11)7-12/h12H,4-8H2,1-3H3
InChIKeyMUWOZBOLUXAXBY-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
CID 21838746
1-Propanol, 3-[[tris(1-methylethyl)silyl]oxy]-
CID 11287724
4-[Tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorobutan-2-ol
CID 85611637
(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol
CID 135041139
(R,S)-3-(tert-Butyl-dimethyl-silanyloxy)-4,4,4-trifluoro-butan-1-ol
CID 10801202
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
CID 11521739
Triethyl(hydroxy)silane;2,2,2-trifluoroethanol;ZINC
CID 22386001
4-[Dimethyl(3,3,3-trifluoropropyl)silyl]butan-1-ol
CID 22717491
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-propan-1-ol
CID 57927149
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-propan-1-ol
CID 57927231
3-((Tert-butyldimethylsilyl)oxy)-2-fluoropropan-1-OL
CID 57927263
3-((tert-Butyldimethylsilyl)oxy)-2,2-difluoropropan-1-ol
CID 57927605

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol (CID 91467778) is 3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol is CCCC[Si](C)(C)OCC(F)(F)CO.
What is the InChIKey of 3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol?
The InChIKey is MUWOZBOLUXAXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2O2Si/c1-4-5-6-14(2,3)13-8-9(10,11)7-12/h12H,4-8H2,1-3H3.
What are the key properties of 3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol?
3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol is sourced from PubChem (CID 91467778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).