tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C14H24FNO4 — CID 91358930

IUPACtert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CC=C(F)CO)COC1(C)C
InChIInChI=1S/C14H24FNO4/c1-13(2,3)20-12(18)16-11(7-6-10(15)8-17)9-19-14(16,4)5/h6,11,17H,7-9H2,1-5H3/t11-/m0/s1
InChIKeyZDKCWZSFFWBCHK-NSHDSACASA-N
MW289.35 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 91358930) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID91358930
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Nametert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CC=C(F)CO)COC1(C)C
InChIInChI=1S/C14H24FNO4/c1-13(2,3)20-12(18)16-11(7-6-10(15)8-17)9-19-14(16,4)5/h6,11,17H,7-9H2,1-5H3/t11-/m0/s1
InChIKeyZDKCWZSFFWBCHK-NSHDSACASA-N
XLogP2.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4S)-4-[(1R)-1-hydroxyprop-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10777541
(R)-tert-Butyl 4-(3-hydroxyprop-1-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11448263
tert-butyl (4R)-4-[(1R)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10801138
tert-butyl (4R)-4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 638937
tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 22298066
tert-butyl (4S)-4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 12072725
tert-butyl (4S)-4-[(Z)-3-fluoro-4-isocyanobut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883042
(Z)-2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol
CID 59883054
tert-butyl (4S)-4-[(Z)-4-ethylperoxy-3-fluorobut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883069
tert-butyl (4S)-4-[(Z)-3-fluoro-4-hydroxybut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883079
tert-butyl 4-[(Z)-4-fluoro-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 60033081
tert-butyl (4S)-4-[(Z)-4-fluoro-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 60083589

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 91358930) is tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](CC=C(F)CO)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZDKCWZSFFWBCHK-NSHDSACASA-N. The full InChI is InChI=1S/C14H24FNO4/c1-13(2,3)20-12(18)16-11(7-6-10(15)8-17)9-19-14(16,4)5/h6,11,17H,7-9H2,1-5H3/t11-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 289.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 91358930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).