2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol

C10H12F3NO3 — CID 171210164

IUPAC2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol
SMILESN[C@H](CCO)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)17-6-1-2-9(16)7(5-6)8(14)3-4-15/h1-2,5,8,15-16H,3-4,14H2/t8-/m1/s1
InChIKeyQSQZSPCVDCZVMX-MRVPVSSYSA-N
MW251.20 g/mol
LogP1.67
Rot. Bonds4

About 2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol

2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol (PubChem CID 171210164) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol
PubChem CID171210164
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol
SMILESN[C@H](CCO)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)17-6-1-2-9(16)7(5-6)8(14)3-4-15/h1-2,5,8,15-16H,3-4,14H2/t8-/m1/s1
InChIKeyQSQZSPCVDCZVMX-MRVPVSSYSA-N
XLogP1.67
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.67
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

2-[(1S)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171229770
2-[(1R)-1-amino-4-hydroxybutyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210167
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-(trifluoromethoxy)phenol
CID 171210135
2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210138
2-[(1R)-1-amino-4-methylpentyl]-4-(trifluoromethoxy)phenol
CID 171210157
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55264441
2-[(1R)-1-aminobut-3-enyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210124
2-[(1R)-1-amino-3-methylbut-3-enyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210154
2-[(1S)-1-amino-2,2-dimethylpropyl]-4-(trifluoromethoxy)phenol
CID 171243087
(2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetic acid
CID 66512842
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4-(trifluoromethoxy)phenol
CID 171264169
2-[(1S,2S)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4-(trifluoromethoxy)phenol
CID 171269844

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol (CID 171210164) is 2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol is N[C@H](CCO)c1cc(OC(F)(F)F)ccc1O.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol?
The InChIKey is QSQZSPCVDCZVMX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c11-10(12,13)17-6-1-2-9(16)7(5-6)8(14)3-4-15/h1-2,5,8,15-16H,3-4,14H2/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol?
2-[(1R)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol has a molecular weight of 251.20 g/mol, XLogP of 1.67, 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-3-hydroxypropyl]-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 171210164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).