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

C12H27F2NO2Si — CID 169181755

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol
SMILESCC(O[Si](C)(C)C(C)(C)C)C(CO)NCC(F)F
InChIInChI=1S/C12H27F2NO2Si/c1-9(10(8-16)15-7-11(13)14)17-18(5,6)12(2,3)4/h9-11,15-16H,7-8H2,1-6H3
InChIKeyCQLAHLNYHMTKNV-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.61
Rot. Bonds7

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

3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol (PubChem CID 169181755) has the molecular formula C12H27F2NO2Si and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol
PubChem CID169181755
Molecular FormulaC12H27F2NO2Si
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol
SMILESCC(O[Si](C)(C)C(C)(C)C)C(CO)NCC(F)F
InChIInChI=1S/C12H27F2NO2Si/c1-9(10(8-16)15-7-11(13)14)17-18(5,6)12(2,3)4/h9-11,15-16H,7-8H2,1-6H3
InChIKeyCQLAHLNYHMTKNV-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
(3S)-2-(2,2-difluoroethylamino)-3-(oxan-2-yloxy)butan-1-ol
CID 169181575
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
[3-[tert-butyl(dimethyl)silyl]oxy-1-cyanobutan-2-yl] N-(2,2-difluoroethyl)carbamate
CID 176610763
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate
CID 57178030
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine
CID 134860012
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
CID 15632284
tert-butyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10069177
tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate
CID 73056650
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropanoylamino)butanoate
CID 142596258

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol (CID 169181755) is 3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol is CC(O[Si](C)(C)C(C)(C)C)C(CO)NCC(F)F.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol?
The InChIKey is CQLAHLNYHMTKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27F2NO2Si/c1-9(10(8-16)15-7-11(13)14)17-18(5,6)12(2,3)4/h9-11,15-16H,7-8H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol is sourced from PubChem (CID 169181755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).