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

C11H14FN3O2 — CID 59154891

IUPAC[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol
SMILESCO[C@H](c1ccc(CO)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C11H14FN3O2/c1-17-11(10(6-12)14-15-13)9-4-2-8(7-16)3-5-9/h2-5,10-11,16H,6-7H2,1H3/t10-,11-/m1/s1
InChIKeyWDNWAIGVYMZMTN-GHMZBOCLSA-N
MW239.25 g/mol
LogP2.51
Rot. Bonds6

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

[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol (PubChem CID 59154891) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is [4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol
PubChem CID59154891
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol
SMILESCO[C@H](c1ccc(CO)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C11H14FN3O2/c1-17-11(10(6-12)14-15-13)9-4-2-8(7-16)3-5-9/h2-5,10-11,16H,6-7H2,1H3/t10-,11-/m1/s1
InChIKeyWDNWAIGVYMZMTN-GHMZBOCLSA-N
XLogP2.51
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
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-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol?
The IUPAC name of [4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol (CID 59154891) is [4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol.
What is the SMILES notation for [4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol?
The canonical SMILES for [4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol is CO[C@H](c1ccc(CO)cc1)[C@@H](CF)N=[N+]=[N-].
What is the InChIKey of [4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol?
The InChIKey is WDNWAIGVYMZMTN-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-17-11(10(6-12)14-15-13)9-4-2-8(7-16)3-5-9/h2-5,10-11,16H,6-7H2,1H3/t10-,11-/m1/s1.
What are the key properties of [4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol?
[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol has a molecular weight of 239.25 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methanol is sourced from PubChem (CID 59154891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).