tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate

C13H22FNO5 — CID 70396133

IUPACtert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate
SMILESCC(C)(C)OC(=O)ON1[C@H](C=C(F)CO)COC1(C)C
InChIInChI=1S/C13H22FNO5/c1-12(2,3)19-11(17)20-15-10(6-9(14)7-16)8-18-13(15,4)5/h6,10,16H,7-8H2,1-5H3/t10-/m1/s1
InChIKeyPDIGLYULLBAWJG-SNVBAGLBSA-N
MW291.32 g/mol
LogP2.14
Rot. Bonds3

About tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate

tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate (PubChem CID 70396133) has the molecular formula C13H22FNO5 and a molecular weight of 291.32 g/mol. Its IUPAC name is tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate
PubChem CID70396133
Molecular FormulaC13H22FNO5
Molecular Weight291.32 g/mol
Exact Mass291.15
IUPAC Nametert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate
SMILESCC(C)(C)OC(=O)ON1[C@H](C=C(F)CO)COC1(C)C
InChIInChI=1S/C13H22FNO5/c1-12(2,3)19-11(17)20-15-10(6-9(14)7-16)8-18-13(15,4)5/h6,10,16H,7-8H2,1-5H3/t10-/m1/s1
InChIKeyPDIGLYULLBAWJG-SNVBAGLBSA-N
XLogP2.14
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate?
The IUPAC name of tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate (CID 70396133) is tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate.
What is the SMILES notation for tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate?
The canonical SMILES for tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate is CC(C)(C)OC(=O)ON1[C@H](C=C(F)CO)COC1(C)C.
What is the InChIKey of tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate?
The InChIKey is PDIGLYULLBAWJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22FNO5/c1-12(2,3)19-11(17)20-15-10(6-9(14)7-16)8-18-13(15,4)5/h6,10,16H,7-8H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate?
tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate has a molecular weight of 291.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate is sourced from PubChem (CID 70396133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).