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

C20H38FNO3 — CID 10666196

IUPACtert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCCCCCCC[C@@H](F)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H38FNO3/c1-7-8-9-10-11-12-13-14-16(21)17-15-24-20(5,6)22(17)18(23)25-19(2,3)4/h16-17H,7-15H2,1-6H3/t16-,17+/m1/s1
InChIKeyJDMJFXHCAKFGMJ-SJORKVTESA-N
MW359.53 g/mol
LogP5.84
Rot. Bonds9

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

tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10666196) has the molecular formula C20H38FNO3 and a molecular weight of 359.53 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10666196
Molecular FormulaC20H38FNO3
Molecular Weight359.53 g/mol
Exact Mass359.28
IUPAC Nametert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCCCCCCC[C@@H](F)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H38FNO3/c1-7-8-9-10-11-12-13-14-16(21)17-15-24-20(5,6)22(17)18(23)25-19(2,3)4/h16-17H,7-15H2,1-6H3/t16-,17+/m1/s1
InChIKeyJDMJFXHCAKFGMJ-SJORKVTESA-N
XLogP5.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.53
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134934178
tert-butyl (4S)-4-[(2S)-2-fluoroundecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134934921
tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate
CID 10468437
tert-butyl (4S)-4-(3,3-difluorobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11594503
(S)-tert-butyl 4-((1-fluorocyclohexyl)methyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 59201498
Tert-butyl 4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68716665
tert-butyl (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 86705185
tert-butyl (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 90320964
(4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 143486936
tert-butyl (4R)-4-fluoro-2-[2-(oxetan-2-yl)ethyl]pyrrolidine-1-carboxylate
CID 176155351
tert-butyl (4S)-4-[(2R)-2-hydroxyundecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134881184
3-Cyclohexyl-5-tetradecyl-1,3-oxazolidin-2-one
CID 134914975

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10666196) is tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCCCCCCCC[C@@H](F)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JDMJFXHCAKFGMJ-SJORKVTESA-N. The full InChI is InChI=1S/C20H38FNO3/c1-7-8-9-10-11-12-13-14-16(21)17-15-24-20(5,6)22(17)18(23)25-19(2,3)4/h16-17H,7-15H2,1-6H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 359.53 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1R)-1-fluorodecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10666196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).