tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride

C8H16F3N3O3 — CID 167697350

IUPACtert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride
SMILESC[C@@H](O)[C@H](N=[N+]=[N-])C(=O)OC(C)(C)C.F.FF
InChIInChI=1S/C8H15N3O3.F2.FH/c1-5(12)6(10-11-9)7(13)14-8(2,3)4;1-2;/h5-6,12H,1-4H3;;1H/t5-,6+;;/m1../s1
InChIKeyXVYGKGDLISETHT-PVNUIUKASA-N
MW259.23 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride

tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride (PubChem CID 167697350) has the molecular formula C8H16F3N3O3 and a molecular weight of 259.23 g/mol. Its IUPAC name is tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride.

Molecular Properties

Compound Nametert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride
PubChem CID167697350
Molecular FormulaC8H16F3N3O3
Molecular Weight259.23 g/mol
Exact Mass259.11
IUPAC Nametert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride
SMILESC[C@@H](O)[C@H](N=[N+]=[N-])C(=O)OC(C)(C)C.F.FF
InChIInChI=1S/C8H15N3O3.F2.FH/c1-5(12)6(10-11-9)7(13)14-8(2,3)4;1-2;/h5-6,12H,1-4H3;;1H/t5-,6+;;/m1../s1
InChIKeyXVYGKGDLISETHT-PVNUIUKASA-N
XLogP2.38
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate
CID 10655692
tert-butyl (2S,3S)-2-azido-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 100995145
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate
CID 21122078
tert-butyl (2R,3S)-3-azido-2-hydroxy-3-phenylpropanoate
CID 10539484
tert-butyl 4-azido-2-methylbutanoate
CID 150269304
tert-butyl (2S,3S)-2-azido-3-[benzyl-[(1S)-1-phenylethyl]amino]butanoate
CID 11784210
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
tert-butyl 2-fluoropropanoate
CID 91554233
tert-butyl (2S)-2-bromopropanoate
CID 12882378
tert-butyl N-(2-azidopropyl)carbamate
CID 23122173
2,2,2-trifluoroethyl 3-azidobutanoate
CID 102294177

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride?
The IUPAC name of tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride (CID 167697350) is tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride.
What is the SMILES notation for tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride?
The canonical SMILES for tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride is C[C@@H](O)[C@H](N=[N+]=[N-])C(=O)OC(C)(C)C.F.FF.
What is the InChIKey of tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride?
The InChIKey is XVYGKGDLISETHT-PVNUIUKASA-N. The full InChI is InChI=1S/C8H15N3O3.F2.FH/c1-5(12)6(10-11-9)7(13)14-8(2,3)4;1-2;/h5-6,12H,1-4H3;;1H/t5-,6+;;/m1../s1.
What are the key properties of tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride?
tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride has a molecular weight of 259.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride is sourced from PubChem (CID 167697350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).