tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C13H22FNO4 — CID 22298066

IUPACtert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(/C=C(\F)CO)COC1(C)C
InChIInChI=1S/C13H22FNO4/c1-12(2,3)19-11(17)15-10(6-9(14)7-16)8-18-13(15,4)5/h6,10,16H,7-8H2,1-5H3/b9-6-
InChIKeyLSBKEKKOTSIJFQ-TWGQIWQCSA-N
MW275.32 g/mol
LogP2.20
Rot. Bonds2

About tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 22298066) has the molecular formula C13H22FNO4 and a molecular weight of 275.32 g/mol. Its IUPAC name is tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID22298066
Molecular FormulaC13H22FNO4
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Nametert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(/C=C(\F)CO)COC1(C)C
InChIInChI=1S/C13H22FNO4/c1-12(2,3)19-11(17)15-10(6-9(14)7-16)8-18-13(15,4)5/h6,10,16H,7-8H2,1-5H3/b9-6-
InChIKeyLSBKEKKOTSIJFQ-TWGQIWQCSA-N
XLogP2.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(R)-tert-Butyl 4-(3-hydroxyprop-1-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11448263
(E)-3-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]prop-2-enoic acid
CID 134963703
tert-butyl (4R)-4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 638937
tert-butyl (4S)-4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 12072725
(Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol
CID 59075833
(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol
CID 59075848
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
tert-butyl [(4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidin-3-yl] carbonate
CID 70396133
Tert-butyl 4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 72627760
tert-butyl (4S)-4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91042580

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 22298066) is tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(/C=C(\F)CO)COC1(C)C.
What is the InChIKey of tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is LSBKEKKOTSIJFQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H22FNO4/c1-12(2,3)19-11(17)15-10(6-9(14)7-16)8-18-13(15,4)5/h6,10,16H,7-8H2,1-5H3/b9-6-.
What are the key properties of tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 275.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 22298066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).