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

C8H16F3N3O2 — CID 107480159

IUPACN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
SMILESCC(CN(CCO)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H16F3N3O2/c1-6(7(12)13-16)4-14(2-3-15)5-8(9,10)11/h6,15-16H,2-5H2,1H3,(H2,12,13)
InChIKeyNYSVBPULFMWOCG-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.23
Rot. Bonds6

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

N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide (PubChem CID 107480159) has the molecular formula C8H16F3N3O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
PubChem CID107480159
Molecular FormulaC8H16F3N3O2
Molecular Weight243.23 g/mol
Exact Mass243.12
IUPAC NameN'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
SMILESCC(CN(CCO)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H16F3N3O2/c1-6(7(12)13-16)4-14(2-3-15)5-8(9,10)11/h6,15-16H,2-5H2,1H3,(H2,12,13)
InChIKeyNYSVBPULFMWOCG-UHFFFAOYSA-N
XLogP0.23
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.23
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-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987484
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
N'-hydroxy-2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54991982
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204706
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
N'-hydroxy-2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 76204947
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 76205073

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide (CID 107480159) is N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide is CC(CN(CCO)CC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide?
The InChIKey is NYSVBPULFMWOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2/c1-6(7(12)13-16)4-14(2-3-15)5-8(9,10)11/h6,15-16H,2-5H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide?
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide has a molecular weight of 243.23 g/mol, XLogP of 0.23, 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]-2-methylpropanimidamide is sourced from PubChem (CID 107480159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).