2-amino-6-chloro-4-fluorophenol

C6H5ClFNO — CID 11275173

IUPAC2-amino-6-chloro-4-fluorophenol
SMILESNc1cc(F)cc(Cl)c1O
InChIInChI=1S/C6H5ClFNO/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H,9H2
InChIKeyREFPHRGHKUGEHM-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.77
Rot. Bonds

About 2-amino-6-chloro-4-fluorophenol

2-amino-6-chloro-4-fluorophenol (PubChem CID 11275173) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 2-amino-6-chloro-4-fluorophenol.

Molecular Properties

Compound Name2-amino-6-chloro-4-fluorophenol
PubChem CID11275173
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name2-amino-6-chloro-4-fluorophenol
SMILESNc1cc(F)cc(Cl)c1O
InChIInChI=1S/C6H5ClFNO/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H,9H2
InChIKeyREFPHRGHKUGEHM-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 51.77
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-4-fluorophenol?
The IUPAC name of 2-amino-6-chloro-4-fluorophenol (CID 11275173) is 2-amino-6-chloro-4-fluorophenol.
What is the SMILES notation for 2-amino-6-chloro-4-fluorophenol?
The canonical SMILES for 2-amino-6-chloro-4-fluorophenol is Nc1cc(F)cc(Cl)c1O.
What is the InChIKey of 2-amino-6-chloro-4-fluorophenol?
The InChIKey is REFPHRGHKUGEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H,9H2.
What are the key properties of 2-amino-6-chloro-4-fluorophenol?
2-amino-6-chloro-4-fluorophenol has a molecular weight of 161.56 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-fluorophenol is sourced from PubChem (CID 11275173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).