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

C9H18F3N3O2 — CID 107480178

IUPACN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-2-7(5-8(13)14-17)15(3-4-16)6-9(10,11)12/h7,16-17H,2-6H2,1H3,(H2,13,14)
InChIKeyCCZOIRIRLYIRRQ-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.76
Rot. Bonds7

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

N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 107480178) has the molecular formula C9H18F3N3O2 and a molecular weight of 257.26 g/mol. Its IUPAC name is N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID107480178
Molecular FormulaC9H18F3N3O2
Molecular Weight257.26 g/mol
Exact Mass257.14
IUPAC NameN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-2-7(5-8(13)14-17)15(3-4-16)6-9(10,11)12/h7,16-17H,2-6H2,1H3,(H2,13,14)
InChIKeyCCZOIRIRLYIRRQ-UHFFFAOYSA-N
XLogP0.76
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.76
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-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997863
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63223935
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76205672
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 76987592
N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
CID 77028926
N'-hydroxy-3-[propan-2-yl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100274
N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]butanimidamide
CID 77100295
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]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 107480178) is N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide is CCC(CC(N)=NO)N(CCO)CC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is CCZOIRIRLYIRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2/c1-2-7(5-8(13)14-17)15(3-4-16)6-9(10,11)12/h7,16-17H,2-6H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 257.26 g/mol, XLogP of 0.76, 7 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]pentanimidamide is sourced from PubChem (CID 107480178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).