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

C20H34FNO3 — CID 10784422

IUPACtert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCCCCCC#C[C@@H](F)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H34FNO3/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,7-12,15H2,1-6H3/t16-,17+/m1/s1
InChIKeyYMHWMOGJUYSRBJ-SJORKVTESA-N
MW355.49 g/mol
LogP5.06
Rot. Bonds6

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

tert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10784422) has the molecular formula C20H34FNO3 and a molecular weight of 355.49 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10784422
Molecular FormulaC20H34FNO3
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Nametert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCCCCCC#C[C@@H](F)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H34FNO3/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,7-12,15H2,1-6H3/t16-,17+/m1/s1
InChIKeyYMHWMOGJUYSRBJ-SJORKVTESA-N
XLogP5.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-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-hydroxy-2,2-dimethyldec-3-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101180257
tert-butyl (4S)-4-[(1R,2R)-1,2-dihydroxyhexadecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11004992
tert-butyl (4S)-4-(2-hydroxyheptadec-3-yn-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11247957
tert-butyl (4S)-4-[(E)-1-hydroxyhexadec-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 12993001
tert-butyl (4R)-4-[(S)-hydroxy-(2-tridecylcyclopropen-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11775318
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120
tert-butyl (4R)-2,2-dimethyl-4-[2-(4-undec-1-ynylphenyl)ethyl]-1,3-oxazolidine-3-carboxylate
CID 101045366
tert-butyl (4S)-4-[(S)-cyano(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11065036
[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-hydroxymethyl]-trifluoroboranuide
CID 135003670
tert-butyl (4R)-4-[(1S)-1-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 154713206
tert-butyl (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
CID 157062241
CID 157062241

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10784422) is tert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCCCCCCC#C[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-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YMHWMOGJUYSRBJ-SJORKVTESA-N. The full InChI is InChI=1S/C20H34FNO3/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,7-12,15H2,1-6H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1R)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 355.49 g/mol, XLogP of 5.06, 6 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-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10784422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).