tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C13H24FNO3 — CID 90320964

IUPACtert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC[C@H](F)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24FNO3/c1-7-9(14)10-8-17-13(5,6)15(10)11(16)18-12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m0/s1
InChIKeyDBMBLFOSWBHFCH-VHSXEESVSA-N
MW261.34 g/mol
LogP3.11
Rot. Bonds2

About tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 90320964) has the molecular formula C13H24FNO3 and a molecular weight of 261.34 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID90320964
Molecular FormulaC13H24FNO3
Molecular Weight261.34 g/mol
Exact Mass261.17
IUPAC Nametert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC[C@H](F)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24FNO3/c1-7-9(14)10-8-17-13(5,6)15(10)11(16)18-12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m0/s1
InChIKeyDBMBLFOSWBHFCH-VHSXEESVSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 90320964) is tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC[C@H](F)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DBMBLFOSWBHFCH-VHSXEESVSA-N. The full InChI is InChI=1S/C13H24FNO3/c1-7-9(14)10-8-17-13(5,6)15(10)11(16)18-12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 90320964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).