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

C9H10FN3O2 — CID 83093152

IUPAC(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](O)CN=[N+]=[N-])cc1F
InChIInChI=1S/C9H10FN3O2/c1-15-9-3-2-6(4-7(9)10)8(14)5-12-13-11/h2-4,8,14H,5H2,1H3/t8-/m0/s1
InChIKeyBCZKGEMHMMWXMA-QMMMGPOBSA-N
MW211.20 g/mol
LogP2.18
Rot. Bonds4

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

(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 83093152) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is (1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID83093152
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](O)CN=[N+]=[N-])cc1F
InChIInChI=1S/C9H10FN3O2/c1-15-9-3-2-6(4-7(9)10)8(14)5-12-13-11/h2-4,8,14H,5H2,1H3/t8-/m0/s1
InChIKeyBCZKGEMHMMWXMA-QMMMGPOBSA-N
XLogP2.18
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.18
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-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 86605117
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 102233999
2-azido-1-(3,4-dipropoxyphenyl)ethanol
CID 83093722
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
CID 165492310
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 112510192
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223

Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of (1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 83093152) is (1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc([C@@H](O)CN=[N+]=[N-])cc1F.
What is the InChIKey of (1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is BCZKGEMHMMWXMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10FN3O2/c1-15-9-3-2-6(4-7(9)10)8(14)5-12-13-11/h2-4,8,14H,5H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol?
(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 211.20 g/mol, XLogP of 2.18, 4 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-methoxyphenyl)ethanol is sourced from PubChem (CID 83093152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).