3-[2-amino-3-(trifluoromethyl)anilino]phenol

C13H11F3N2O — CID 89167145

IUPAC3-[2-amino-3-(trifluoromethyl)anilino]phenol
SMILESNc1c(Nc2cccc(O)c2)cccc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-5-2-6-11(12(10)17)18-8-3-1-4-9(19)7-8/h1-7,18-19H,17H2
InChIKeyKWBUYJRUCHUSJJ-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.74
Rot. Bonds2

About 3-[2-amino-3-(trifluoromethyl)anilino]phenol

3-[2-amino-3-(trifluoromethyl)anilino]phenol (PubChem CID 89167145) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-[2-amino-3-(trifluoromethyl)anilino]phenol.

Molecular Properties

Compound Name3-[2-amino-3-(trifluoromethyl)anilino]phenol
PubChem CID89167145
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name3-[2-amino-3-(trifluoromethyl)anilino]phenol
SMILESNc1c(Nc2cccc(O)c2)cccc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-5-2-6-11(12(10)17)18-8-3-1-4-9(19)7-8/h1-7,18-19H,17H2
InChIKeyKWBUYJRUCHUSJJ-UHFFFAOYSA-N
XLogP3.74
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-3-(trifluoromethyl)anilino]phenol?
The IUPAC name of 3-[2-amino-3-(trifluoromethyl)anilino]phenol (CID 89167145) is 3-[2-amino-3-(trifluoromethyl)anilino]phenol.
What is the SMILES notation for 3-[2-amino-3-(trifluoromethyl)anilino]phenol?
The canonical SMILES for 3-[2-amino-3-(trifluoromethyl)anilino]phenol is Nc1c(Nc2cccc(O)c2)cccc1C(F)(F)F.
What is the InChIKey of 3-[2-amino-3-(trifluoromethyl)anilino]phenol?
The InChIKey is KWBUYJRUCHUSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)10-5-2-6-11(12(10)17)18-8-3-1-4-9(19)7-8/h1-7,18-19H,17H2.
What are the key properties of 3-[2-amino-3-(trifluoromethyl)anilino]phenol?
3-[2-amino-3-(trifluoromethyl)anilino]phenol has a molecular weight of 268.24 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-3-(trifluoromethyl)anilino]phenol is sourced from PubChem (CID 89167145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).