2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol

C8H7ClF3NO — CID 67792256

IUPAC2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol
SMILESNc1c(CC(F)(F)F)ccc(Cl)c1O
InChIInChI=1S/C8H7ClF3NO/c9-5-2-1-4(3-8(10,11)12)6(13)7(5)14/h1-2,14H,3,13H2
InChIKeyAGDGLYSLRPULJQ-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.73
Rot. Bonds1

About 2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol

2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol (PubChem CID 67792256) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol.

Molecular Properties

Compound Name2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol
PubChem CID67792256
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol
SMILESNc1c(CC(F)(F)F)ccc(Cl)c1O
InChIInChI=1S/C8H7ClF3NO/c9-5-2-1-4(3-8(10,11)12)6(13)7(5)14/h1-2,14H,3,13H2
InChIKeyAGDGLYSLRPULJQ-UHFFFAOYSA-N
XLogP2.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-6-chloro-3-(2,2,2-trifluoroethyl)phenol?
The IUPAC name of 2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol (CID 67792256) is 2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol.
What is the SMILES notation for 2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol?
The canonical SMILES for 2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol is Nc1c(CC(F)(F)F)ccc(Cl)c1O.
What is the InChIKey of 2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol?
The InChIKey is AGDGLYSLRPULJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-5-2-1-4(3-8(10,11)12)6(13)7(5)14/h1-2,14H,3,13H2.
What are the key properties of 2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol?
2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol has a molecular weight of 225.60 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-3-(2,2,2-trifluoroethyl)phenol is sourced from PubChem (CID 67792256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).