N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide

C6H12F3N3O2 — CID 107480177

IUPACN'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILESNC(CN(CCO)CC(F)(F)F)=NO
InChIInChI=1S/C6H12F3N3O2/c7-6(8,9)4-12(1-2-13)3-5(10)11-14/h13-14H,1-4H2,(H2,10,11)
InChIKeyYEXBYBANZNPFIN-UHFFFAOYSA-N
MW215.17 g/mol
LogP-0.41
Rot. Bonds5

About N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide

N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide (PubChem CID 107480177) has the molecular formula C6H12F3N3O2 and a molecular weight of 215.17 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
PubChem CID107480177
Molecular FormulaC6H12F3N3O2
Molecular Weight215.17 g/mol
Exact Mass215.09
IUPAC NameN'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILESNC(CN(CCO)CC(F)(F)F)=NO
InChIInChI=1S/C6H12F3N3O2/c7-6(8,9)4-12(1-2-13)3-5(10)11-14/h13-14H,1-4H2,(H2,10,11)
InChIKeyYEXBYBANZNPFIN-UHFFFAOYSA-N
XLogP-0.41
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-0.41
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'}

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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'-hydroxyethanimidamide
CID 107480152
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]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 N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide (CID 107480177) is N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide is NC(CN(CCO)CC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The InChIKey is YEXBYBANZNPFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2/c7-6(8,9)4-12(1-2-13)3-5(10)11-14/h13-14H,1-4H2,(H2,10,11).
What are the key properties of N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide has a molecular weight of 215.17 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide is sourced from PubChem (CID 107480177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).