tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate

C9H14FNO4 — CID 83854311

IUPACtert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1NC(=O)OC1CF
InChIInChI=1S/C9H14FNO4/c1-9(2,3)15-7(12)6-5(4-10)14-8(13)11-6/h5-6H,4H2,1-3H3,(H,11,13)
InChIKeyPPUGLBFGXYHIHI-UHFFFAOYSA-N
MW219.21 g/mol
LogP0.77
Rot. Bonds2

About tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate

tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 83854311) has the molecular formula C9H14FNO4 and a molecular weight of 219.21 g/mol. Its IUPAC name is tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID83854311
Molecular FormulaC9H14FNO4
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Nametert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1NC(=O)OC1CF
InChIInChI=1S/C9H14FNO4/c1-9(2,3)15-7(12)6-5(4-10)14-8(13)11-6/h5-6H,4H2,1-3H3,(H,11,13)
InChIKeyPPUGLBFGXYHIHI-UHFFFAOYSA-N
XLogP0.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl ((2S,3R)-2-methyl-4-oxooxetan-3-yl)carbamate
CID 46899796
tert-butyl N-[(2S,3S)-2-methyl-4-oxooxetan-3-yl]carbamate
CID 57523551
(4S,5R)-5-Methyl-2-oxooxazolidine-4-carboxylic acid
CID 11412450
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
(2S,3R)-3-(tert-butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acid
CID 7015770
(2S,3R)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxybutanoic acid
CID 15460346
(4R,5S)-5-Methyl-2-oxooxazolidine-4-carboxylic acid
CID 45084654
tert-butyl N-((3R)-2-oxooxolan-3-yl)carbamate
CID 688319
tert-Butyl (tetrahydro-2-oxo-3-furanyl)carbamate
CID 3297380
tert-butyl N-[(2R,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
CID 57523552
tert-Butyl (2R,3S)-2-methyl-4-oxooxetan-3-ylcarbamate
CID 24849149
(2R,3S)-2-(((tert-butoxy)carbonyl)amino)-3-methoxybutanoic acid
CID 23540191

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate (CID 83854311) is tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate is CC(C)(C)OC(=O)C1NC(=O)OC1CF.
What is the InChIKey of tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is PPUGLBFGXYHIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO4/c1-9(2,3)15-7(12)6-5(4-10)14-8(13)11-6/h5-6H,4H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 219.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 83854311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).