4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane

C15H20FN3O2 — CID 59154914

IUPAC4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane
SMILESCO[C@H](c1ccc(C2CCOCC2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C15H20FN3O2/c1-20-15(14(10-16)18-19-17)13-4-2-11(3-5-13)12-6-8-21-9-7-12/h2-5,12,14-15H,6-10H2,1H3/t14-,15-/m1/s1
InChIKeyDIYQHQQYFZOJHV-HUUCEWRRSA-N
MW293.34 g/mol
LogP3.92
Rot. Bonds6

About 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane

4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane (PubChem CID 59154914) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane.

Molecular Properties

Compound Name4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane
PubChem CID59154914
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane
SMILESCO[C@H](c1ccc(C2CCOCC2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C15H20FN3O2/c1-20-15(14(10-16)18-19-17)13-4-2-11(3-5-13)12-6-8-21-9-7-12/h2-5,12,14-15H,6-10H2,1H3/t14-,15-/m1/s1
InChIKeyDIYQHQQYFZOJHV-HUUCEWRRSA-N
XLogP3.92
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane?
The IUPAC name of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane (CID 59154914) is 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane.
What is the SMILES notation for 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane?
The canonical SMILES for 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane is CO[C@H](c1ccc(C2CCOCC2)cc1)[C@@H](CF)N=[N+]=[N-].
What is the InChIKey of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane?
The InChIKey is DIYQHQQYFZOJHV-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-20-15(14(10-16)18-19-17)13-4-2-11(3-5-13)12-6-8-21-9-7-12/h2-5,12,14-15H,6-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane?
4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane has a molecular weight of 293.34 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]oxane is sourced from PubChem (CID 59154914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).