5-amino-2-(3,5-difluorophenyl)phenol

C12H9F2NO — CID 12067767

IUPAC5-amino-2-(3,5-difluorophenyl)phenol
SMILESNc1ccc(-c2cc(F)cc(F)c2)c(O)c1
InChIInChI=1S/C12H9F2NO/c13-8-3-7(4-9(14)5-8)11-2-1-10(15)6-12(11)16/h1-6,16H,15H2
InChIKeyKDVQOPIQCODJJL-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.92
Rot. Bonds1

About 5-amino-2-(3,5-difluorophenyl)phenol

5-amino-2-(3,5-difluorophenyl)phenol (PubChem CID 12067767) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-amino-2-(3,5-difluorophenyl)phenol.

Molecular Properties

Compound Name5-amino-2-(3,5-difluorophenyl)phenol
PubChem CID12067767
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-amino-2-(3,5-difluorophenyl)phenol
SMILESNc1ccc(-c2cc(F)cc(F)c2)c(O)c1
InChIInChI=1S/C12H9F2NO/c13-8-3-7(4-9(14)5-8)11-2-1-10(15)6-12(11)16/h1-6,16H,15H2
InChIKeyKDVQOPIQCODJJL-UHFFFAOYSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-difluorophenyl)phenol?
The IUPAC name of 5-amino-2-(3,5-difluorophenyl)phenol (CID 12067767) is 5-amino-2-(3,5-difluorophenyl)phenol.
What is the SMILES notation for 5-amino-2-(3,5-difluorophenyl)phenol?
The canonical SMILES for 5-amino-2-(3,5-difluorophenyl)phenol is Nc1ccc(-c2cc(F)cc(F)c2)c(O)c1.
What is the InChIKey of 5-amino-2-(3,5-difluorophenyl)phenol?
The InChIKey is KDVQOPIQCODJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c13-8-3-7(4-9(14)5-8)11-2-1-10(15)6-12(11)16/h1-6,16H,15H2.
What are the key properties of 5-amino-2-(3,5-difluorophenyl)phenol?
5-amino-2-(3,5-difluorophenyl)phenol has a molecular weight of 221.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-difluorophenyl)phenol is sourced from PubChem (CID 12067767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).