4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran

C15H18FN3O2 — CID 59154978

IUPAC4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran
SMILESCO[C@H](c1ccc(C2=CCOCC2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C15H18FN3O2/c1-20-15(14(10-16)18-19-17)13-4-2-11(3-5-13)12-6-8-21-9-7-12/h2-6,14-15H,7-10H2,1H3/t14-,15-/m1/s1
InChIKeyIDZKCCINXFTHRB-HUUCEWRRSA-N
MW291.33 g/mol
LogP3.83
Rot. Bonds6

About 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran

4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran (PubChem CID 59154978) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran
PubChem CID59154978
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran
SMILESCO[C@H](c1ccc(C2=CCOCC2)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C15H18FN3O2/c1-20-15(14(10-16)18-19-17)13-4-2-11(3-5-13)12-6-8-21-9-7-12/h2-6,14-15H,7-10H2,1H3/t14-,15-/m1/s1
InChIKeyIDZKCCINXFTHRB-HUUCEWRRSA-N
XLogP3.83
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.83
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran?
The IUPAC name of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran (CID 59154978) is 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran is CO[C@H](c1ccc(C2=CCOCC2)cc1)[C@@H](CF)N=[N+]=[N-].
What is the InChIKey of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran?
The InChIKey is IDZKCCINXFTHRB-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-20-15(14(10-16)18-19-17)13-4-2-11(3-5-13)12-6-8-21-9-7-12/h2-6,14-15H,7-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of 4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran?
4-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-3,6-dihydro-2H-pyran has a molecular weight of 291.33 g/mol, XLogP of 3.83, 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]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 59154978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).