2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol

C10H13F3N2O — CID 104860557

IUPAC2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
SMILESCC(NCC(F)(F)CO)c1ccc(F)cn1
InChIInChI=1S/C10H13F3N2O/c1-7(15-5-10(12,13)6-16)9-3-2-8(11)4-14-9/h2-4,7,15-16H,5-6H2,1H3
InChIKeyHBRYSGYRGZAULB-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.50
Rot. Bonds5

About 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol

2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol (PubChem CID 104860557) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
PubChem CID104860557
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
SMILESCC(NCC(F)(F)CO)c1ccc(F)cn1
InChIInChI=1S/C10H13F3N2O/c1-7(15-5-10(12,13)6-16)9-3-2-8(11)4-14-9/h2-4,7,15-16H,5-6H2,1H3
InChIKeyHBRYSGYRGZAULB-UHFFFAOYSA-N
XLogP1.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]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

Related Compounds

1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
CID 83118832
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460664
2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104860444
tert-butyl N-[2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 104955582
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
CID 103917149
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 83119908
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol (CID 104860557) is 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol is CC(NCC(F)(F)CO)c1ccc(F)cn1.
What is the InChIKey of 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
The InChIKey is HBRYSGYRGZAULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7(15-5-10(12,13)6-16)9-3-2-8(11)4-14-9/h2-4,7,15-16H,5-6H2,1H3.
What are the key properties of 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol has a molecular weight of 234.22 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol is sourced from PubChem (CID 104860557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).