2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol

C8H8F3NO2 — CID 66510904

IUPAC2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol
SMILESN[C@H](c1cc(O)ccc1O)C(F)(F)F
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)7(12)5-3-4(13)1-2-6(5)14/h1-3,7,13-14H,12H2/t7-/m1/s1
InChIKeyQKKAPBOAAQFODR-SSDOTTSWSA-N
MW207.15 g/mol
LogP1.66
Rot. Bonds1

About 2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol

2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol (PubChem CID 66510904) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol
PubChem CID66510904
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol
SMILESN[C@H](c1cc(O)ccc1O)C(F)(F)F
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)7(12)5-3-4(13)1-2-6(5)14/h1-3,7,13-14H,12H2/t7-/m1/s1
InChIKeyQKKAPBOAAQFODR-SSDOTTSWSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzene-1,4-diol
CID 131296341
4-(1-amino-2,2,2-trifluoroethyl)-3-chlorophenol
CID 77128281
2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
CID 66510923
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
CID 55277980
2-[(1R)-1-amino-3,3,3-trifluoropropyl]benzene-1,4-diol
CID 131515495
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 73424692
2-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 118797641
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol
CID 66510272
2-[(1S)-1-amino-2,2-difluoroethyl]benzene-1,4-diol;hydrochloride
CID 171246703
4-(1-amino-2,2,2-trifluoroethyl)benzene-1,2,3-triol
CID 130059147
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-nitrophenol;hydrochloride
CID 171245431
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-fluorophenol
CID 66511072

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol?
The IUPAC name of 2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol (CID 66510904) is 2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol?
The canonical SMILES for 2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol is N[C@H](c1cc(O)ccc1O)C(F)(F)F.
What is the InChIKey of 2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol?
The InChIKey is QKKAPBOAAQFODR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)7(12)5-3-4(13)1-2-6(5)14/h1-3,7,13-14H,12H2/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol?
2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol has a molecular weight of 207.15 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol is sourced from PubChem (CID 66510904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).