2-(2-amino-3-fluorophenyl)propan-2-ol

C9H12FNO — CID 117104081

IUPAC2-(2-amino-3-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1cccc(F)c1N
InChIInChI=1S/C9H12FNO/c1-9(2,12)6-4-3-5-7(10)8(6)11/h3-5,12H,11H2,1-2H3
InChIKeyYFNAAWKNXSZSOE-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.64
Rot. Bonds1

About 2-(2-amino-3-fluorophenyl)propan-2-ol

2-(2-amino-3-fluorophenyl)propan-2-ol (PubChem CID 117104081) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-(2-amino-3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-amino-3-fluorophenyl)propan-2-ol
PubChem CID117104081
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-(2-amino-3-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1cccc(F)c1N
InChIInChI=1S/C9H12FNO/c1-9(2,12)6-4-3-5-7(10)8(6)11/h3-5,12H,11H2,1-2H3
InChIKeyYFNAAWKNXSZSOE-UHFFFAOYSA-N
XLogP1.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.64
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 2-(2-amino-3-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(2-amino-3-fluorophenyl)propan-2-ol (CID 117104081) is 2-(2-amino-3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(2-amino-3-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(2-amino-3-fluorophenyl)propan-2-ol is CC(C)(O)c1cccc(F)c1N.
What is the InChIKey of 2-(2-amino-3-fluorophenyl)propan-2-ol?
The InChIKey is YFNAAWKNXSZSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-9(2,12)6-4-3-5-7(10)8(6)11/h3-5,12H,11H2,1-2H3.
What are the key properties of 2-(2-amino-3-fluorophenyl)propan-2-ol?
2-(2-amino-3-fluorophenyl)propan-2-ol has a molecular weight of 169.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 117104081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).