4-(2-amino-3,4,5-trifluorophenyl)phenol

C12H8F3NO — CID 174480876

IUPAC4-(2-amino-3,4,5-trifluorophenyl)phenol
SMILESNc1c(-c2ccc(O)cc2)cc(F)c(F)c1F
InChIInChI=1S/C12H8F3NO/c13-9-5-8(12(16)11(15)10(9)14)6-1-3-7(17)4-2-6/h1-5,17H,16H2
InChIKeyLKGJCZCWCFUFKC-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.06
Rot. Bonds1

About 4-(2-amino-3,4,5-trifluorophenyl)phenol

4-(2-amino-3,4,5-trifluorophenyl)phenol (PubChem CID 174480876) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-(2-amino-3,4,5-trifluorophenyl)phenol.

Molecular Properties

Compound Name4-(2-amino-3,4,5-trifluorophenyl)phenol
PubChem CID174480876
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name4-(2-amino-3,4,5-trifluorophenyl)phenol
SMILESNc1c(-c2ccc(O)cc2)cc(F)c(F)c1F
InChIInChI=1S/C12H8F3NO/c13-9-5-8(12(16)11(15)10(9)14)6-1-3-7(17)4-2-6/h1-5,17H,16H2
InChIKeyLKGJCZCWCFUFKC-UHFFFAOYSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-amino-3,4,5-trifluorophenyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-4-phenylphenol
CID 14562
4-[(E)-2-(4-Aminophenyl)ethenyl]phenol
CID 5375988
4-Amino-4'-hydroxybiphenyl
CID 14565
2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
CID 632603
2-Biphenylol, 4'-amino-
CID 146708
3,3'-Diamino-[1,1'-biphenyl]-4,4'-diol
CID 612294
4-[3-(4-Amino-3-methylphenyl)pentan-3-yl]-2-methylphenol
CID 71712304
4-[4-(4-Amino-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 155536687
2'-Aminobiphenyl-2-ol
CID 1207248
4-(3-Aminophenyl)phenol
CID 2756362
4'-Aminobiphenyl-3-ol
CID 2756363
4,4'-(o-Aminobenzylidene)diphenol
CID 2925064

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,4,5-trifluorophenyl)phenol?
The IUPAC name of 4-(2-amino-3,4,5-trifluorophenyl)phenol (CID 174480876) is 4-(2-amino-3,4,5-trifluorophenyl)phenol.
What is the SMILES notation for 4-(2-amino-3,4,5-trifluorophenyl)phenol?
The canonical SMILES for 4-(2-amino-3,4,5-trifluorophenyl)phenol is Nc1c(-c2ccc(O)cc2)cc(F)c(F)c1F.
What is the InChIKey of 4-(2-amino-3,4,5-trifluorophenyl)phenol?
The InChIKey is LKGJCZCWCFUFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-9-5-8(12(16)11(15)10(9)14)6-1-3-7(17)4-2-6/h1-5,17H,16H2.
What are the key properties of 4-(2-amino-3,4,5-trifluorophenyl)phenol?
4-(2-amino-3,4,5-trifluorophenyl)phenol has a molecular weight of 239.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,4,5-trifluorophenyl)phenol is sourced from PubChem (CID 174480876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).