2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol

C10H13F2NO3 — CID 171243718

IUPAC2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol
SMILESCOc1cccc([C@@H](N)C(F)(F)CO)c1O
InChIInChI=1S/C10H13F2NO3/c1-16-7-4-2-3-6(8(7)15)9(13)10(11,12)5-14/h2-4,9,14-15H,5,13H2,1H3/t9-/m1/s1
InChIKeyROXJWWDYJYSSJK-SECBINFHSA-N
MW233.21 g/mol
LogP1.03
Rot. Bonds4

About 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol

2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol (PubChem CID 171243718) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol
PubChem CID171243718
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC Name2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol
SMILESCOc1cccc([C@@H](N)C(F)(F)CO)c1O
InChIInChI=1S/C10H13F2NO3/c1-16-7-4-2-3-6(8(7)15)9(13)10(11,12)5-14/h2-4,9,14-15H,5,13H2,1H3/t9-/m1/s1
InChIKeyROXJWWDYJYSSJK-SECBINFHSA-N
XLogP1.03
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(2-methoxyphenyl)propan-1-ol
CID 171239731
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride
CID 171248235
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methylphenol
CID 131543744
2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol
CID 131557071
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-fluoro-6-methoxyphenol
CID 171256039
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride
CID 171241275
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171246564
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-(trifluoromethoxy)phenol
CID 171255546
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247121
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol
CID 171251040

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol?
The IUPAC name of 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol (CID 171243718) is 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol?
The canonical SMILES for 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol is COc1cccc([C@@H](N)C(F)(F)CO)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol?
The InChIKey is ROXJWWDYJYSSJK-SECBINFHSA-N. The full InChI is InChI=1S/C10H13F2NO3/c1-16-7-4-2-3-6(8(7)15)9(13)10(11,12)5-14/h2-4,9,14-15H,5,13H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol?
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol has a molecular weight of 233.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol is sourced from PubChem (CID 171243718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).