2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride

C10H12ClF4NO2 — CID 171210138

IUPAC2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride
SMILESCl.N[C@H](CCF)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C10H11F4NO2.ClH/c11-4-3-8(15)7-5-6(1-2-9(7)16)17-10(12,13)14;/h1-2,5,8,16H,3-4,15H2;1H/t8-;/m1./s1
InChIKeyGOHOUKZAYNTPGW-DDWIOCJRSA-N
MW289.66 g/mol
LogP3.07
Rot. Bonds4

About 2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride

2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride (PubChem CID 171210138) has the molecular formula C10H12ClF4NO2 and a molecular weight of 289.66 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride
PubChem CID171210138
Molecular FormulaC10H12ClF4NO2
Molecular Weight289.66 g/mol
Exact Mass289.05
IUPAC Name2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride
SMILESCl.N[C@H](CCF)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C10H11F4NO2.ClH/c11-4-3-8(15)7-5-6(1-2-9(7)16)17-10(12,13)14;/h1-2,5,8,16H,3-4,15H2;1H/t8-;/m1./s1
InChIKeyGOHOUKZAYNTPGW-DDWIOCJRSA-N
XLogP3.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 53.07
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)-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-hydroxypropyl]-4-(trifluoromethoxy)phenol
CID 171210164
2-[(1R)-1-amino-4-methylpentyl]-4-(trifluoromethoxy)phenol
CID 171210157
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
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
ethyl (3R)-3-amino-2-fluoro-3-[2-hydroxy-5-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243090
2-[(1S)-1-amino-2,2-dimethylpropyl]-4-(trifluoromethoxy)phenol
CID 171243087
2-[(1S)-1-aminobutyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
CID 171233656
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4-(trifluoromethoxy)phenol
CID 171264169

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride (CID 171210138) is 2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride is Cl.N[C@H](CCF)c1cc(OC(F)(F)F)ccc1O.
What is the InChIKey of 2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride?
The InChIKey is GOHOUKZAYNTPGW-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H11F4NO2.ClH/c11-4-3-8(15)7-5-6(1-2-9(7)16)17-10(12,13)14;/h1-2,5,8,16H,3-4,15H2;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride?
2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride has a molecular weight of 289.66 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride is sourced from PubChem (CID 171210138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).