5-amino-2-(fluoromethyl)phenol

C7H8FNO — CID 89045620

IUPAC5-amino-2-(fluoromethyl)phenol
SMILESNc1ccc(CF)c(O)c1
InChIInChI=1S/C7H8FNO/c8-4-5-1-2-6(9)3-7(5)10/h1-3,10H,4,9H2
InChIKeyUAZKSHGMWRXGRI-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.44
Rot. Bonds1

About 5-amino-2-(fluoromethyl)phenol

5-amino-2-(fluoromethyl)phenol (PubChem CID 89045620) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 5-amino-2-(fluoromethyl)phenol.

Molecular Properties

Compound Name5-amino-2-(fluoromethyl)phenol
PubChem CID89045620
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name5-amino-2-(fluoromethyl)phenol
SMILESNc1ccc(CF)c(O)c1
InChIInChI=1S/C7H8FNO/c8-4-5-1-2-6(9)3-7(5)10/h1-3,10H,4,9H2
InChIKeyUAZKSHGMWRXGRI-UHFFFAOYSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.44
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-(fluoromethyl)phenol?
The IUPAC name of 5-amino-2-(fluoromethyl)phenol (CID 89045620) is 5-amino-2-(fluoromethyl)phenol.
What is the SMILES notation for 5-amino-2-(fluoromethyl)phenol?
The canonical SMILES for 5-amino-2-(fluoromethyl)phenol is Nc1ccc(CF)c(O)c1.
What is the InChIKey of 5-amino-2-(fluoromethyl)phenol?
The InChIKey is UAZKSHGMWRXGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c8-4-5-1-2-6(9)3-7(5)10/h1-3,10H,4,9H2.
What are the key properties of 5-amino-2-(fluoromethyl)phenol?
5-amino-2-(fluoromethyl)phenol has a molecular weight of 141.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(fluoromethyl)phenol is sourced from PubChem (CID 89045620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).