6-amino-2,3,4-trifluorophenol

C6H4F3NO — CID 19957203

IUPAC6-amino-2,3,4-trifluorophenol
SMILESNc1cc(F)c(F)c(F)c1O
InChIInChI=1S/C6H4F3NO/c7-2-1-3(10)6(11)5(9)4(2)8/h1,11H,10H2
InChIKeyVEPKZQHPDWUTBU-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.39
Rot. Bonds

About 6-amino-2,3,4-trifluorophenol

6-amino-2,3,4-trifluorophenol (PubChem CID 19957203) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is 6-amino-2,3,4-trifluorophenol.

Molecular Properties

Compound Name6-amino-2,3,4-trifluorophenol
PubChem CID19957203
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name6-amino-2,3,4-trifluorophenol
SMILESNc1cc(F)c(F)c(F)c1O
InChIInChI=1S/C6H4F3NO/c7-2-1-3(10)6(11)5(9)4(2)8/h1,11H,10H2
InChIKeyVEPKZQHPDWUTBU-UHFFFAOYSA-N
XLogP1.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-amino-2,3-difluoro-4-methylphenol
CID 59444170
2,3,4-trifluoro-6-methylphenol
CID 54304883
2,4,5-trifluorobenzene-1,3-diol
CID 10725692
6-amino-3-bromo-2-chloro-4-fluorophenol
CID 170170762
5-amino-7,8-difluoronaphthalen-2-ol
CID 141091751
6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
CID 84777063
4-amino-2,6-difluoro-3-methoxyphenol
CID 84766766
3-amino-2,4,5,6-tetrafluorophenol
CID 12558020
CID 161433752
CID 161433752
2,3,4,5,6-pentafluorophenol;hydrochloride
CID 172845059
2-amino-6-fluoro-4-(fluoromethyl)phenol
CID 171811229
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3,4-trifluorophenol?
The IUPAC name of 6-amino-2,3,4-trifluorophenol (CID 19957203) is 6-amino-2,3,4-trifluorophenol.
What is the SMILES notation for 6-amino-2,3,4-trifluorophenol?
The canonical SMILES for 6-amino-2,3,4-trifluorophenol is Nc1cc(F)c(F)c(F)c1O.
What is the InChIKey of 6-amino-2,3,4-trifluorophenol?
The InChIKey is VEPKZQHPDWUTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-2-1-3(10)6(11)5(9)4(2)8/h1,11H,10H2.
What are the key properties of 6-amino-2,3,4-trifluorophenol?
6-amino-2,3,4-trifluorophenol has a molecular weight of 163.10 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3,4-trifluorophenol is sourced from PubChem (CID 19957203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).