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

C19H24F2O2Si — CID 125483258

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
SMILESCC(C)(C)[Si](OCC(F)(F)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24F2O2Si/c1-18(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-15-19(20,21)14-22/h4-13,22H,14-15H2,1-3H3
InChIKeyDPTVIASBQRUVNA-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.19
Rot. Bonds6

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

3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol (PubChem CID 125483258) has the molecular formula C19H24F2O2Si and a molecular weight of 350.48 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
PubChem CID125483258
Molecular FormulaC19H24F2O2Si
Molecular Weight350.48 g/mol
Exact Mass350.15
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
SMILESCC(C)(C)[Si](OCC(F)(F)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24F2O2Si/c1-18(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-15-19(20,21)14-22/h4-13,22H,14-15H2,1-3H3
InChIKeyDPTVIASBQRUVNA-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.19
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

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(trifluoromethyl)butane-1,4-diol
CID 175998383
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 172785843
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one
CID 142348320
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 58682742

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol (CID 125483258) is 3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol is CC(C)(C)[Si](OCC(F)(F)CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol?
The InChIKey is DPTVIASBQRUVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2O2Si/c1-18(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-15-19(20,21)14-22/h4-13,22H,14-15H2,1-3H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol?
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol has a molecular weight of 350.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol is sourced from PubChem (CID 125483258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).