[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene

C10H12FN3O — CID 59154921

IUPAC[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene
SMILESCO[C@H](c1ccccc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C10H12FN3O/c1-15-10(9(7-11)13-14-12)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10-/m1/s1
InChIKeyJCZDCJXTNCMUQA-NXEZZACHSA-N
MW209.22 g/mol
LogP3.02
Rot. Bonds5

About [(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene

[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene (PubChem CID 59154921) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is [(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene.

Molecular Properties

Compound Name[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene
PubChem CID59154921
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene
SMILESCO[C@H](c1ccccc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C10H12FN3O/c1-15-10(9(7-11)13-14-12)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10-/m1/s1
InChIKeyJCZDCJXTNCMUQA-NXEZZACHSA-N
XLogP3.02
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene?
The IUPAC name of [(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene (CID 59154921) is [(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene.
What is the SMILES notation for [(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene?
The canonical SMILES for [(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene is CO[C@H](c1ccccc1)[C@@H](CF)N=[N+]=[N-].
What is the InChIKey of [(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene?
The InChIKey is JCZDCJXTNCMUQA-NXEZZACHSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-15-10(9(7-11)13-14-12)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10-/m1/s1.
What are the key properties of [(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene?
[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene has a molecular weight of 209.22 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzene is sourced from PubChem (CID 59154921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).