2-amino-1-fluoro-1-phenylpropan-2-ol

C9H12FNO — CID 139388621

IUPAC2-amino-1-fluoro-1-phenylpropan-2-ol
SMILESCC(N)(O)C(F)c1ccccc1
InChIInChI=1S/C9H12FNO/c1-9(11,12)8(10)7-5-3-2-4-6-7/h2-6,8,12H,11H2,1H3
InChIKeyGCLBZSXXIKNIHP-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.36
Rot. Bonds2

About 2-amino-1-fluoro-1-phenylpropan-2-ol

2-amino-1-fluoro-1-phenylpropan-2-ol (PubChem CID 139388621) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-amino-1-fluoro-1-phenylpropan-2-ol.

Molecular Properties

Compound Name2-amino-1-fluoro-1-phenylpropan-2-ol
PubChem CID139388621
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-amino-1-fluoro-1-phenylpropan-2-ol
SMILESCC(N)(O)C(F)c1ccccc1
InChIInChI=1S/C9H12FNO/c1-9(11,12)8(10)7-5-3-2-4-6-7/h2-6,8,12H,11H2,1H3
InChIKeyGCLBZSXXIKNIHP-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-amino-1-fluoro-1-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-fluoro-1-phenylpropan-2-ol?
The IUPAC name of 2-amino-1-fluoro-1-phenylpropan-2-ol (CID 139388621) is 2-amino-1-fluoro-1-phenylpropan-2-ol.
What is the SMILES notation for 2-amino-1-fluoro-1-phenylpropan-2-ol?
The canonical SMILES for 2-amino-1-fluoro-1-phenylpropan-2-ol is CC(N)(O)C(F)c1ccccc1.
What is the InChIKey of 2-amino-1-fluoro-1-phenylpropan-2-ol?
The InChIKey is GCLBZSXXIKNIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-9(11,12)8(10)7-5-3-2-4-6-7/h2-6,8,12H,11H2,1H3.
What are the key properties of 2-amino-1-fluoro-1-phenylpropan-2-ol?
2-amino-1-fluoro-1-phenylpropan-2-ol has a molecular weight of 169.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-fluoro-1-phenylpropan-2-ol is sourced from PubChem (CID 139388621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).