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

C9H20F2O2Si — CID 86258697

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)C(F)F
InChIInChI=1S/C9H20F2O2Si/c1-9(2,3)14(4,5)13-6-7(12)8(10)11/h7-8,12H,6H2,1-5H3
InChIKeyRHNLFWVISDYSMV-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.63
Rot. Bonds4

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

3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol (PubChem CID 86258697) has the molecular formula C9H20F2O2Si and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol
PubChem CID86258697
Molecular FormulaC9H20F2O2Si
Molecular Weight226.34 g/mol
Exact Mass226.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)C(F)F
InChIInChI=1S/C9H20F2O2Si/c1-9(2,3)14(4,5)13-6-7(12)8(10)11/h7-8,12H,6H2,1-5H3
InChIKeyRHNLFWVISDYSMV-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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Related Compounds

1-((Tert-butyldimethylsilyl)oxy)propan-2-ol
CID 13175134
(2R)-1-{[(1,1-Dimethylethyl)(dimethyl)silyl]oxy}propan-2-ol
CID 13175135
3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
CID 21838746
(S)-1-((Tert-butyldimethylsilyl)oxy)propan-2-OL
CID 13175136
(S)-3-((Tert-butyldimethylsilyl)oxy)-1,1-difluoropropan-2-OL
CID 102153916
2-([tert-Butyl(dimethyl)silyl]oxy)propan-1-ol
CID 15688070
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-2-ol
CID 46188625
4-[Tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorobutan-2-ol
CID 85611637
(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol
CID 102039374
(S)-2-(tert-Butyl-dimethyl-silanyloxy)-propan-1-ol
CID 15688069
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 58012744
(R,S)-3-(tert-Butyl-dimethyl-silanyloxy)-4,4,4-trifluoro-butan-1-ol
CID 10801202

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol (CID 86258697) is 3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol is CC(C)(C)[Si](C)(C)OCC(O)C(F)F.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol?
The InChIKey is RHNLFWVISDYSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2O2Si/c1-9(2,3)14(4,5)13-6-7(12)8(10)11/h7-8,12H,6H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol?
3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-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-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol is sourced from PubChem (CID 86258697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).