2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol

C9H11F2NO2 — CID 131154819

IUPAC2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc([C@@H](N)CF)c1O
InChIInChI=1S/C9H11F2NO2/c1-14-8-3-5(11)2-6(9(8)13)7(12)4-10/h2-3,7,13H,4,12H2,1H3/t7-/m0/s1
InChIKeyHJCYOUCEEIWNLW-ZETCQYMHSA-N
MW203.19 g/mol
LogP1.51
Rot. Bonds3

About 2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol

2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol (PubChem CID 131154819) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol
PubChem CID131154819
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc([C@@H](N)CF)c1O
InChIInChI=1S/C9H11F2NO2/c1-14-8-3-5(11)2-6(9(8)13)7(12)4-10/h2-3,7,13H,4,12H2,1H3/t7-/m0/s1
InChIKeyHJCYOUCEEIWNLW-ZETCQYMHSA-N
XLogP1.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040
2-[(1S)-1-aminobut-3-enyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256017
2-[(1S)-1-amino-2-fluoroethyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171212860
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-fluoro-6-methoxyphenol
CID 171256039
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-fluoro-6-methoxyphenol
CID 171259381
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-fluoro-6-methoxyphenol
CID 171256037
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride
CID 171255975
2-[(R)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol
CID 171256027
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256025
2-[(1R)-1-amino-3-fluoropropyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171212888
2-[(S)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171259372

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol?
The IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol (CID 131154819) is 2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol is COc1cc(F)cc([C@@H](N)CF)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol?
The InChIKey is HJCYOUCEEIWNLW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-14-8-3-5(11)2-6(9(8)13)7(12)4-10/h2-3,7,13H,4,12H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol?
2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol has a molecular weight of 203.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol is sourced from PubChem (CID 131154819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).