2-amino-4-[4-(trifluoromethoxy)phenyl]phenol

C13H10F3NO2 — CID 162558400

IUPAC2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)19-10-4-1-8(2-5-10)9-3-6-12(18)11(17)7-9/h1-7,18H,17H2
InChIKeyGUXIJWDXNPRKPQ-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.54
Rot. Bonds2

About 2-amino-4-[4-(trifluoromethoxy)phenyl]phenol

2-amino-4-[4-(trifluoromethoxy)phenyl]phenol (PubChem CID 162558400) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-amino-4-[4-(trifluoromethoxy)phenyl]phenol.

Molecular Properties

Compound Name2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
PubChem CID162558400
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)19-10-4-1-8(2-5-10)9-3-6-12(18)11(17)7-9/h1-7,18H,17H2
InChIKeyGUXIJWDXNPRKPQ-UHFFFAOYSA-N
XLogP3.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
methyl 2-[2-amino-4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 154815090
N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 118180284
2-nitro-4-[4-(trifluoromethoxy)phenyl]phenol
CID 53221716
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
2-propoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 59820872
2-amino-4-(trifluoromethoxy)phenol;2-nitro-4-(trifluoromethoxy)phenol
CID 159552146
2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171384957
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(trifluoromethoxy)phenyl]phenol?
The IUPAC name of 2-amino-4-[4-(trifluoromethoxy)phenyl]phenol (CID 162558400) is 2-amino-4-[4-(trifluoromethoxy)phenyl]phenol.
What is the SMILES notation for 2-amino-4-[4-(trifluoromethoxy)phenyl]phenol?
The canonical SMILES for 2-amino-4-[4-(trifluoromethoxy)phenyl]phenol is Nc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O.
What is the InChIKey of 2-amino-4-[4-(trifluoromethoxy)phenyl]phenol?
The InChIKey is GUXIJWDXNPRKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)19-10-4-1-8(2-5-10)9-3-6-12(18)11(17)7-9/h1-7,18H,17H2.
What are the key properties of 2-amino-4-[4-(trifluoromethoxy)phenyl]phenol?
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol has a molecular weight of 269.22 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(trifluoromethoxy)phenyl]phenol is sourced from PubChem (CID 162558400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).