2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol

C13H11ClFNO — CID 176599076

IUPAC2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol
SMILESNC(c1ccc(Cl)cc1)c1cc(F)ccc1O
InChIInChI=1S/C13H11ClFNO/c14-9-3-1-8(2-4-9)13(16)11-7-10(15)5-6-12(11)17/h1-7,13,17H,16H2
InChIKeyMUZUVZFSJJBRIJ-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.23
Rot. Bonds2

About 2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol

2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol (PubChem CID 176599076) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol
PubChem CID176599076
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol
SMILESNC(c1ccc(Cl)cc1)c1cc(F)ccc1O
InChIInChI=1S/C13H11ClFNO/c14-9-3-1-8(2-4-9)13(16)11-7-10(15)5-6-12(11)17/h1-7,13,17H,16H2
InChIKeyMUZUVZFSJJBRIJ-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol?
The IUPAC name of 2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol (CID 176599076) is 2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol?
The canonical SMILES for 2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol is NC(c1ccc(Cl)cc1)c1cc(F)ccc1O.
What is the InChIKey of 2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol?
The InChIKey is MUZUVZFSJJBRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-9-3-1-8(2-4-9)13(16)11-7-10(15)5-6-12(11)17/h1-7,13,17H,16H2.
What are the key properties of 2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol?
2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol has a molecular weight of 251.69 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(4-chlorophenyl)methyl]-4-fluorophenol is sourced from PubChem (CID 176599076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).