4-amino-2-chloro-5-(trifluoromethyl)phenol

C7H5ClF3NO — CID 131210150

IUPAC4-amino-2-chloro-5-(trifluoromethyl)phenol
SMILESNc1cc(Cl)c(O)cc1C(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-4-2-5(12)3(1-6(4)13)7(9,10)11/h1-2,13H,12H2
InChIKeyHMTKELOZDURPLJ-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.65
Rot. Bonds

About 4-amino-2-chloro-5-(trifluoromethyl)phenol

4-amino-2-chloro-5-(trifluoromethyl)phenol (PubChem CID 131210150) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 4-amino-2-chloro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-amino-2-chloro-5-(trifluoromethyl)phenol
PubChem CID131210150
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name4-amino-2-chloro-5-(trifluoromethyl)phenol
SMILESNc1cc(Cl)c(O)cc1C(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-4-2-5(12)3(1-6(4)13)7(9,10)11/h1-2,13H,12H2
InChIKeyHMTKELOZDURPLJ-UHFFFAOYSA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-5-(trifluoromethyl)phenol?
The IUPAC name of 4-amino-2-chloro-5-(trifluoromethyl)phenol (CID 131210150) is 4-amino-2-chloro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 4-amino-2-chloro-5-(trifluoromethyl)phenol?
The canonical SMILES for 4-amino-2-chloro-5-(trifluoromethyl)phenol is Nc1cc(Cl)c(O)cc1C(F)(F)F.
What is the InChIKey of 4-amino-2-chloro-5-(trifluoromethyl)phenol?
The InChIKey is HMTKELOZDURPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-4-2-5(12)3(1-6(4)13)7(9,10)11/h1-2,13H,12H2.
What are the key properties of 4-amino-2-chloro-5-(trifluoromethyl)phenol?
4-amino-2-chloro-5-(trifluoromethyl)phenol has a molecular weight of 211.57 g/mol, XLogP of 2.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 131210150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).