4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride

C10H13ClF3NO3 — CID 171237887

IUPAC4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride
SMILESCl.N[C@H](C[C@@H](O)c1ccc(O)cc1O)C(F)(F)F
InChIInChI=1S/C10H12F3NO3.ClH/c11-10(12,13)9(14)4-8(17)6-2-1-5(15)3-7(6)16;/h1-3,8-9,15-17H,4,14H2;1H/t8-,9-;/m1./s1
InChIKeyFHPKGRBVQAIABO-VTLYIQCISA-N
MW287.67 g/mol
LogP1.83
Rot. Bonds3

About 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride

4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride (PubChem CID 171237887) has the molecular formula C10H13ClF3NO3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride
PubChem CID171237887
Molecular FormulaC10H13ClF3NO3
Molecular Weight287.67 g/mol
Exact Mass287.05
IUPAC Name4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride
SMILESCl.N[C@H](C[C@@H](O)c1ccc(O)cc1O)C(F)(F)F
InChIInChI=1S/C10H12F3NO3.ClH/c11-10(12,13)9(14)4-8(17)6-2-1-5(15)3-7(6)16;/h1-3,8-9,15-17H,4,14H2;1H/t8-,9-;/m1./s1
InChIKeyFHPKGRBVQAIABO-VTLYIQCISA-N
XLogP1.83
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride with MolForge

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Related Compounds

4-[(1S,3S)-3-amino-1-hydroxy-4,4-dimethylpentyl]benzene-1,3-diol
CID 171237120
2-[(1S,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]phenol;hydrochloride
CID 171237589
4-[(1S,3S)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]phenol;hydrochloride
CID 171237249
2-[(1S,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]-4-chlorophenol;hydrochloride
CID 171237545
(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236858
2-[(1S,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]-4-methylphenol
CID 171237598
4-(1-amino-2-fluoroethyl)benzene-1,3-diol
CID 130061010
(1R,3R)-3-amino-1-(2,4-dichlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237914
(1S,3S)-3-amino-4,4,4-trifluoro-1-(2,4,5-trifluorophenyl)butan-1-ol
CID 171237196
4-[(1S)-1-aminopropyl]benzene-1,3-diol;hydrochloride
CID 171219642
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
4-[(1S)-1-amino-3-methylbutyl]benzene-1,3-diol
CID 131014556

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride?
The IUPAC name of 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride (CID 171237887) is 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride?
The canonical SMILES for 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride is Cl.N[C@H](C[C@@H](O)c1ccc(O)cc1O)C(F)(F)F.
What is the InChIKey of 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride?
The InChIKey is FHPKGRBVQAIABO-VTLYIQCISA-N. The full InChI is InChI=1S/C10H12F3NO3.ClH/c11-10(12,13)9(14)4-8(17)6-2-1-5(15)3-7(6)16;/h1-3,8-9,15-17H,4,14H2;1H/t8-,9-;/m1./s1.
What are the key properties of 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride?
4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride has a molecular weight of 287.67 g/mol, XLogP of 1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 171237887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).