3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide

C13H19F2N3O — CID 107480283

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C13H19F2N3O/c14-12(15)9-18(6-7-19)8-11(13(16)17)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H3,16,17)
InChIKeyUVUUHHKVZYNOMF-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.27
Rot. Bonds8

About 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide (PubChem CID 107480283) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide
PubChem CID107480283
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C13H19F2N3O/c14-12(15)9-18(6-7-19)8-11(13(16)17)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H3,16,17)
InChIKeyUVUUHHKVZYNOMF-UHFFFAOYSA-N
XLogP1.27
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide 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 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide (CID 107480283) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide is [H]/N=C(\N)C(CN(CCO)CC(F)F)c1ccccc1.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide?
The InChIKey is UVUUHHKVZYNOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c14-12(15)9-18(6-7-19)8-11(13(16)17)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H3,16,17).
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide has a molecular weight of 271.31 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 107480283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).