5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol

C10H12F3NO3 — CID 171160755

IUPAC5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](N)[C@@H](O)C(F)(F)F)cc1O
InChIInChI=1S/C10H12F3NO3/c1-17-7-3-2-5(4-6(7)15)8(14)9(16)10(11,12)13/h2-4,8-9,15-16H,14H2,1H3/t8-,9-/m1/s1
InChIKeyLDVLSPUOKDFBCO-RKDXNWHRSA-N
MW251.20 g/mol
LogP1.32
Rot. Bonds3

About 5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol

5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol (PubChem CID 171160755) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol
PubChem CID171160755
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](N)[C@@H](O)C(F)(F)F)cc1O
InChIInChI=1S/C10H12F3NO3/c1-17-7-3-2-5(4-6(7)15)8(14)9(16)10(11,12)13/h2-4,8-9,15-16H,14H2,1H3/t8-,9-/m1/s1
InChIKeyLDVLSPUOKDFBCO-RKDXNWHRSA-N
XLogP1.32
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-amino-3-(3,4-dimethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171162207
(2R,3R)-3-amino-3-(3,4-dimethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171160776
5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol
CID 66511017
5-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2-methoxyphenol
CID 171162182
5-(2-bromo-2,2-difluoro-1-hydroxyethyl)-2-methoxyphenol
CID 107140464
5-[(1R,2S)-1-amino-2-hydroxy-4-methylpentyl]-2-methoxyphenol
CID 171160749
5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol
CID 171160742
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-chlorophenol
CID 171261786
(2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol
CID 171263558
ethyl (3S)-3-amino-2-fluoro-3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 171246008
ethyl (3R)-3-amino-2-fluoro-3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 171239296

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol?
The IUPAC name of 5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol (CID 171160755) is 5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol?
The canonical SMILES for 5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol is COc1ccc([C@@H](N)[C@@H](O)C(F)(F)F)cc1O.
What is the InChIKey of 5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol?
The InChIKey is LDVLSPUOKDFBCO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-17-7-3-2-5(4-6(7)15)8(14)9(16)10(11,12)13/h2-4,8-9,15-16H,14H2,1H3/t8-,9-/m1/s1.
What are the key properties of 5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol?
5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol has a molecular weight of 251.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol is sourced from PubChem (CID 171160755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).