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

C20H34FNO3 — CID 134934178

IUPACtert-butyl (4R)-4-[(1S)-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+/m0/s1
InChIKeyYMHWMOGJUYSRBJ-DLBZAZTESA-N
MW355.49 g/mol
LogP5.06
Rot. Bonds6

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

tert-butyl (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134934178) has the molecular formula C20H34FNO3 and a molecular weight of 355.49 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134934178
Molecular FormulaC20H34FNO3
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Nametert-butyl (4R)-4-[(1S)-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+/m0/s1
InChIKeyYMHWMOGJUYSRBJ-DLBZAZTESA-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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 134934178) is tert-butyl (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1S)-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 (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YMHWMOGJUYSRBJ-DLBZAZTESA-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+/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1S)-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 (4R)-4-[(1S)-1-fluorodec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134934178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).