2,2-difluoro-3-(methylamino)propan-1-ol

C4H9F2NO — CID 55299587

IUPAC2,2-difluoro-3-(methylamino)propan-1-ol
SMILESCNCC(F)(F)CO
InChIInChI=1S/C4H9F2NO/c1-7-2-4(5,6)3-8/h7-8H,2-3H2,1H3
InChIKeyKYJLTAKLJYWDLP-UHFFFAOYSA-N
MW125.12 g/mol
LogP-0.17
Rot. Bonds3

About 2,2-difluoro-3-(methylamino)propan-1-ol

2,2-difluoro-3-(methylamino)propan-1-ol (PubChem CID 55299587) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 2,2-difluoro-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(methylamino)propan-1-ol
PubChem CID55299587
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name2,2-difluoro-3-(methylamino)propan-1-ol
SMILESCNCC(F)(F)CO
InChIInChI=1S/C4H9F2NO/c1-7-2-4(5,6)3-8/h7-8H,2-3H2,1H3
InChIKeyKYJLTAKLJYWDLP-UHFFFAOYSA-N
XLogP-0.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-3-(methylamino)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 2,2-difluoro-3-(methylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(methylamino)propan-1-ol (CID 55299587) is 2,2-difluoro-3-(methylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(methylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(methylamino)propan-1-ol is CNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(methylamino)propan-1-ol?
The InChIKey is KYJLTAKLJYWDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-7-2-4(5,6)3-8/h7-8H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-3-(methylamino)propan-1-ol?
2,2-difluoro-3-(methylamino)propan-1-ol has a molecular weight of 125.12 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(methylamino)propan-1-ol is sourced from PubChem (CID 55299587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).