2-amino-2-(3,4-difluorophenyl)propan-1-ol

C9H11F2NO — CID 22993475

IUPAC2-amino-2-(3,4-difluorophenyl)propan-1-ol
SMILESCC(N)(CO)c1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-9(12,5-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5,12H2,1H3
InChIKeyIMDQFVPUQWGTJX-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-2-(3,4-difluorophenyl)propan-1-ol

2-amino-2-(3,4-difluorophenyl)propan-1-ol (PubChem CID 22993475) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-amino-2-(3,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(3,4-difluorophenyl)propan-1-ol
PubChem CID22993475
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-amino-2-(3,4-difluorophenyl)propan-1-ol
SMILESCC(N)(CO)c1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-9(12,5-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5,12H2,1H3
InChIKeyIMDQFVPUQWGTJX-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(3,4-difluorophenyl)propan-1-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-2-(3,4-difluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-2-(3,4-difluorophenyl)propan-1-ol (CID 22993475) is 2-amino-2-(3,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(3,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-2-(3,4-difluorophenyl)propan-1-ol is CC(N)(CO)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-2-(3,4-difluorophenyl)propan-1-ol?
The InChIKey is IMDQFVPUQWGTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-9(12,5-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5,12H2,1H3.
What are the key properties of 2-amino-2-(3,4-difluorophenyl)propan-1-ol?
2-amino-2-(3,4-difluorophenyl)propan-1-ol has a molecular weight of 187.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 22993475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).