5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol

C13H10F3NO — CID 142543781

IUPAC5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol
SMILESCc1cc(F)c(-c2cc(F)c(N)cc2O)cc1F
InChIInChI=1S/C13H10F3NO/c1-6-2-10(15)7(3-9(6)14)8-4-11(16)12(17)5-13(8)18/h2-5,18H,17H2,1H3
InChIKeyMMLASCPOLCDGMB-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.37
Rot. Bonds1

About 5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol

5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol (PubChem CID 142543781) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol.

Molecular Properties

Compound Name5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol
PubChem CID142543781
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol
SMILESCc1cc(F)c(-c2cc(F)c(N)cc2O)cc1F
InChIInChI=1S/C13H10F3NO/c1-6-2-10(15)7(3-9(6)14)8-4-11(16)12(17)5-13(8)18/h2-5,18H,17H2,1H3
InChIKeyMMLASCPOLCDGMB-UHFFFAOYSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.37
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-(2,5-difluoro-4-methylphenyl)-4-fluorophenol?
The IUPAC name of 5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol (CID 142543781) is 5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol.
What is the SMILES notation for 5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol?
The canonical SMILES for 5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol is Cc1cc(F)c(-c2cc(F)c(N)cc2O)cc1F.
What is the InChIKey of 5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol?
The InChIKey is MMLASCPOLCDGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-6-2-10(15)7(3-9(6)14)8-4-11(16)12(17)5-13(8)18/h2-5,18H,17H2,1H3.
What are the key properties of 5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol?
5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol has a molecular weight of 253.22 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol is sourced from PubChem (CID 142543781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).