2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol

C14H10F6N2O2 — CID 22140341

IUPAC2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol
SMILESNc1cc(-c2cc(N)c(O)c(C(F)(F)F)c2)cc(C(F)(F)F)c1O
InChIInChI=1S/C14H10F6N2O2/c15-13(16,17)7-1-5(3-9(21)11(7)23)6-2-8(14(18,19)20)12(24)10(22)4-6/h1-4,23-24H,21-22H2
InChIKeyYBFGPWIEWAYXRQ-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.97
Rot. Bonds1

About 2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol

2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol (PubChem CID 22140341) has the molecular formula C14H10F6N2O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol
PubChem CID22140341
Molecular FormulaC14H10F6N2O2
Molecular Weight352.23 g/mol
Exact Mass352.06
IUPAC Name2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol
SMILESNc1cc(-c2cc(N)c(O)c(C(F)(F)F)c2)cc(C(F)(F)F)c1O
InChIInChI=1S/C14H10F6N2O2/c15-13(16,17)7-1-5(3-9(21)11(7)23)6-2-8(14(18,19)20)12(24)10(22)4-6/h1-4,23-24H,21-22H2
InChIKeyYBFGPWIEWAYXRQ-UHFFFAOYSA-N
XLogP3.97
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol?
The IUPAC name of 2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol (CID 22140341) is 2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol is Nc1cc(-c2cc(N)c(O)c(C(F)(F)F)c2)cc(C(F)(F)F)c1O.
What is the InChIKey of 2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol?
The InChIKey is YBFGPWIEWAYXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O2/c15-13(16,17)7-1-5(3-9(21)11(7)23)6-2-8(14(18,19)20)12(24)10(22)4-6/h1-4,23-24H,21-22H2.
What are the key properties of 2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol?
2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol has a molecular weight of 352.23 g/mol, XLogP of 3.97, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)phenol is sourced from PubChem (CID 22140341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).