2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide

C6H13F2N3O2 — CID 107480152

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CCO)CC(F)F)=NO
InChIInChI=1S/C6H13F2N3O2/c7-5(8)3-11(1-2-12)4-6(9)10-13/h5,12-13H,1-4H2,(H2,9,10)
InChIKeyPCUVPGBBISQUPK-UHFFFAOYSA-N
MW197.18 g/mol
LogP-0.71
Rot. Bonds6

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 107480152) has the molecular formula C6H13F2N3O2 and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
PubChem CID107480152
Molecular FormulaC6H13F2N3O2
Molecular Weight197.18 g/mol
Exact Mass197.10
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CCO)CC(F)F)=NO
InChIInChI=1S/C6H13F2N3O2/c7-5(8)3-11(1-2-12)4-6(9)10-13/h5,12-13H,1-4H2,(H2,9,10)
InChIKeyPCUVPGBBISQUPK-UHFFFAOYSA-N
XLogP-0.71
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide 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

N'-hydroxy-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanimidamide
CID 76929077
N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide
CID 77100281
2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide
CID 77100282
N'-hydroxy-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethanimidamide
CID 105646640
2-[(3,3-difluoro-2-hydroxypropyl)amino]-N'-hydroxyethanimidamide
CID 105646690
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 107480143
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 107480156
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 107480170
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 107480177
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 107480182
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]ethanimidamide
CID 107480257
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 107480284

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide (CID 107480152) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide is NC(CN(CCO)CC(F)F)=NO.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is PCUVPGBBISQUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O2/c7-5(8)3-11(1-2-12)4-6(9)10-13/h5,12-13H,1-4H2,(H2,9,10).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 197.18 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 107480152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).