2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol

C8H8F4N2O — CID 66511506

IUPAC2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol
SMILESNc1cc(F)cc([C@@H](N)C(F)(F)F)c1O
InChIInChI=1S/C8H8F4N2O/c9-3-1-4(6(15)5(13)2-3)7(14)8(10,11)12/h1-2,7,15H,13-14H2/t7-/m1/s1
InChIKeyQAPNONSMWANFEN-SSDOTTSWSA-N
MW224.16 g/mol
LogP1.68
Rot. Bonds1

About 2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol

2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol (PubChem CID 66511506) has the molecular formula C8H8F4N2O and a molecular weight of 224.16 g/mol. Its IUPAC name is 2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol
PubChem CID66511506
Molecular FormulaC8H8F4N2O
Molecular Weight224.16 g/mol
Exact Mass224.06
IUPAC Name2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol
SMILESNc1cc(F)cc([C@@H](N)C(F)(F)F)c1O
InChIInChI=1S/C8H8F4N2O/c9-3-1-4(6(15)5(13)2-3)7(14)8(10,11)12/h1-2,7,15H,13-14H2/t7-/m1/s1
InChIKeyQAPNONSMWANFEN-SSDOTTSWSA-N
XLogP1.68
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluoro-6-nitrophenol
CID 66511647
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4,6-difluoroaniline
CID 66511440
2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol
CID 130804785
2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171253901
2-amino-6-[(1R)-1-aminoprop-2-enyl]-4-fluorophenol;hydrochloride
CID 171257243
methyl (2S)-2-amino-2-(3-amino-5-fluoro-2-hydroxyphenyl)acetate;hydrochloride
CID 171257246
2-amino-6-[(1S)-1-amino-3-methylbutyl]-4-fluorophenol
CID 171253937
2-amino-6-[(1S)-1-amino-3-methylbut-3-enyl]-4-fluorophenol
CID 171253945
2-amino-6-[(S)-amino(cyclohexyl)methyl]-4-fluorophenol
CID 171253920
2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride
CID 171257260
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-fluorophenol
CID 66511072
2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171257284

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol?
The IUPAC name of 2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol (CID 66511506) is 2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol.
What is the SMILES notation for 2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol?
The canonical SMILES for 2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol is Nc1cc(F)cc([C@@H](N)C(F)(F)F)c1O.
What is the InChIKey of 2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol?
The InChIKey is QAPNONSMWANFEN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8F4N2O/c9-3-1-4(6(15)5(13)2-3)7(14)8(10,11)12/h1-2,7,15H,13-14H2/t7-/m1/s1.
What are the key properties of 2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol?
2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol has a molecular weight of 224.16 g/mol, XLogP of 1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol is sourced from PubChem (CID 66511506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).