3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide

C11H22F3N3O2 — CID 103369333

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide
SMILESCOCCN(CC(C)C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O2/c1-8(2)6-17(4-5-19-3)7-9(10(15)16-18)11(12,13)14/h8-9,18H,4-7H2,1-3H3,(H2,15,16)
InChIKeyYTZCYIBCRZBWDN-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.52
Rot. Bonds8

About 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide (PubChem CID 103369333) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide
PubChem CID103369333
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide
SMILESCOCCN(CC(C)C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O2/c1-8(2)6-17(4-5-19-3)7-9(10(15)16-18)11(12,13)14/h8-9,18H,4-7H2,1-3H3,(H2,15,16)
InChIKeyYTZCYIBCRZBWDN-UHFFFAOYSA-N
XLogP1.52
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
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-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54961975
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
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
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
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide
CID 54992505
3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54997582
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997863
3-[2-Methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide (CID 103369333) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide is COCCN(CC(C)C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide?
The InChIKey is YTZCYIBCRZBWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-8(2)6-17(4-5-19-3)7-9(10(15)16-18)11(12,13)14/h8-9,18H,4-7H2,1-3H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).