(2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol

C16H26BrFO3Si — CID 66688271

IUPAC(2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OCC[C@](O)(CO)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H26BrFO3Si/c1-15(2,3)22(4,5)21-9-8-16(20,11-19)12-6-7-14(18)13(17)10-12/h6-7,10,19-20H,8-9,11H2,1-5H3/t16-/m0/s1
InChIKeyPLIYYMHJTMLBMB-INIZCTEOSA-N
MW393.37 g/mol
LogP4.18
Rot. Bonds6

About (2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol

(2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol (PubChem CID 66688271) has the molecular formula C16H26BrFO3Si and a molecular weight of 393.37 g/mol. Its IUPAC name is (2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol
PubChem CID66688271
Molecular FormulaC16H26BrFO3Si
Molecular Weight393.37 g/mol
Exact Mass392.08
IUPAC Name(2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OCC[C@](O)(CO)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H26BrFO3Si/c1-15(2,3)22(4,5)21-9-8-16(20,11-19)12-6-7-14(18)13(17)10-12/h6-7,10,19-20H,8-9,11H2,1-5H3/t16-/m0/s1
InChIKeyPLIYYMHJTMLBMB-INIZCTEOSA-N
XLogP4.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol?
The IUPAC name of (2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol (CID 66688271) is (2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol.
What is the SMILES notation for (2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol?
The canonical SMILES for (2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol is CC(C)(C)[Si](C)(C)OCC[C@](O)(CO)c1ccc(F)c(Br)c1.
What is the InChIKey of (2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol?
The InChIKey is PLIYYMHJTMLBMB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26BrFO3Si/c1-15(2,3)22(4,5)21-9-8-16(20,11-19)12-6-7-14(18)13(17)10-12/h6-7,10,19-20H,8-9,11H2,1-5H3/t16-/m0/s1.
What are the key properties of (2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol?
(2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol has a molecular weight of 393.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromo-4-fluorophenyl)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2-diol is sourced from PubChem (CID 66688271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).