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

C11H22F3N3O3 — CID 103369336

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide
SMILESCOCCCN(CCOC)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O3/c1-19-6-3-4-17(5-7-20-2)8-9(10(15)16-18)11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16)
InChIKeyKQYVSQOQKMNRKT-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.90
Rot. Bonds10

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

3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide (PubChem CID 103369336) has the molecular formula C11H22F3N3O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide
PubChem CID103369336
Molecular FormulaC11H22F3N3O3
Molecular Weight301.31 g/mol
Exact Mass301.16
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide
SMILESCOCCCN(CCOC)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O3/c1-19-6-3-4-17(5-7-20-2)8-9(10(15)16-18)11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16)
InChIKeyKQYVSQOQKMNRKT-UHFFFAOYSA-N
XLogP0.90
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997863
N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54997958
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(3-methoxypropyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide (CID 103369336) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide is COCCCN(CCOC)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide?
The InChIKey is KQYVSQOQKMNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O3/c1-19-6-3-4-17(5-7-20-2)8-9(10(15)16-18)11(12,13)14/h9,18H,3-8H2,1-2H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide has a molecular weight of 301.31 g/mol, XLogP of 0.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).