N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide

C7H14F3N3O2 — CID 107480170

IUPACN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
SMILESNC(CCN(CCO)CC(F)(F)F)=NO
InChIInChI=1S/C7H14F3N3O2/c8-7(9,10)5-13(3-4-14)2-1-6(11)12-15/h14-15H,1-5H2,(H2,11,12)
InChIKeyJHCJDJDWKFAWPR-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.02
Rot. Bonds6

About N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide

N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide (PubChem CID 107480170) has the molecular formula C7H14F3N3O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
PubChem CID107480170
Molecular FormulaC7H14F3N3O2
Molecular Weight229.20 g/mol
Exact Mass229.10
IUPAC NameN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
SMILESNC(CCN(CCO)CC(F)(F)F)=NO
InChIInChI=1S/C7H14F3N3O2/c8-7(9,10)5-13(3-4-14)2-1-6(11)12-15/h14-15H,1-5H2,(H2,11,12)
InChIKeyJHCJDJDWKFAWPR-UHFFFAOYSA-N
XLogP-0.02
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.02
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

3-[2,2-difluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76993822
N'-hydroxy-3-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76993945
N'-hydroxy-3-[2-methoxyethyl(3,3,3-trifluoropropyl)amino]propanimidamide
CID 77047219
N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100267
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 77100272
N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100300
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369339
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide (CID 107480170) is N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide is NC(CCN(CCO)CC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The InChIKey is JHCJDJDWKFAWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2/c8-7(9,10)5-13(3-4-14)2-1-6(11)12-15/h14-15H,1-5H2,(H2,11,12).
What are the key properties of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide has a molecular weight of 229.20 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide is sourced from PubChem (CID 107480170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).