(1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol

C15H14FN3O2 — CID 86605117

IUPAC(1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
SMILES[N-]=[N+]=NC[C@H](O)c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H14FN3O2/c16-13-8-12(14(20)9-18-19-17)6-7-15(13)21-10-11-4-2-1-3-5-11/h1-8,14,20H,9-10H2/t14-/m0/s1
InChIKeyLMZNQYAYDZUVER-AWEZNQCLSA-N
MW287.29 g/mol
LogP3.75
Rot. Bonds6

About (1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol

(1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol (PubChem CID 86605117) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is (1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
PubChem CID86605117
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name(1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
SMILES[N-]=[N+]=NC[C@H](O)c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H14FN3O2/c16-13-8-12(14(20)9-18-19-17)6-7-15(13)21-10-11-4-2-1-3-5-11/h1-8,14,20H,9-10H2/t14-/m0/s1
InChIKeyLMZNQYAYDZUVER-AWEZNQCLSA-N
XLogP3.75
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.75
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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Related Compounds

(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83093152
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
4-(3-azido-1,2-dihydroxypropyl)-2-phenylmethoxybenzonitrile
CID 170827065
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254
(1R)-2-azido-1-(4-phenylphenyl)ethanol
CID 83092866
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
2-(azidomethyl)-1-phenylmethoxy-4-(trifluoromethyl)benzene
CID 22661941
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 142645838
2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol
CID 23191762

Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
The IUPAC name of (1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol (CID 86605117) is (1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol is [N-]=[N+]=NC[C@H](O)c1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of (1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
The InChIKey is LMZNQYAYDZUVER-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-13-8-12(14(20)9-18-19-17)6-7-15(13)21-10-11-4-2-1-3-5-11/h1-8,14,20H,9-10H2/t14-/m0/s1.
What are the key properties of (1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
(1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol has a molecular weight of 287.29 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 86605117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).