2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol

C9H11F2NO2 — CID 130612678

IUPAC2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c([C@@H](N)C(F)F)c1
InChIInChI=1S/C9H11F2NO2/c1-14-5-2-3-7(13)6(4-5)8(12)9(10)11/h2-4,8-9,13H,12H2,1H3/t8-/m1/s1
InChIKeySWIPPPDCUVACQS-MRVPVSSYSA-N
MW203.19 g/mol
LogP1.67
Rot. Bonds3

About 2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol

2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol (PubChem CID 130612678) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
PubChem CID130612678
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c([C@@H](N)C(F)F)c1
InChIInChI=1S/C9H11F2NO2/c1-14-5-2-3-7(13)6(4-5)8(12)9(10)11/h2-4,8-9,13H,12H2,1H3/t8-/m1/s1
InChIKeySWIPPPDCUVACQS-MRVPVSSYSA-N
XLogP1.67
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 ≤ 51.67
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-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 130691846
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride
CID 171267529
2-[(1S)-1-amino-2-fluoroethyl]-4-methoxyphenol
CID 130739611
2-[(1S,2R)-1-amino-2-hydroxy-3,3-dimethylbutyl]-4-methoxyphenol
CID 171267542
2-[(1S)-1-amino-3,3-difluoropropyl]-4-methoxyphenol;hydrochloride
CID 171312960
2-[(1R,2S)-1-amino-2-hydroxy-3-methylpentyl]-4-methoxyphenol
CID 171261862
2-[(1S,2R)-1-amino-2-hydroxypentyl]-4-methoxyphenol
CID 171267548
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-5-methoxyphenyl)propanoate;hydrochloride
CID 171240573
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol?
The IUPAC name of 2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol (CID 130612678) is 2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol?
The canonical SMILES for 2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol is COc1ccc(O)c([C@@H](N)C(F)F)c1.
What is the InChIKey of 2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol?
The InChIKey is SWIPPPDCUVACQS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-14-5-2-3-7(13)6(4-5)8(12)9(10)11/h2-4,8-9,13H,12H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol?
2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol has a molecular weight of 203.19 g/mol, XLogP of 1.67, 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-2,2-difluoroethyl]-4-methoxyphenol is sourced from PubChem (CID 130612678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).