3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide

C8H13F6N3O2 — CID 103369722

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCCOCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6N3O2/c9-7(10,11)4-19-2-1-16-3-5(6(15)17-18)8(12,13)14/h5,16,18H,1-4H2,(H2,15,17)
InChIKeyPYAWDTSFOUMKDA-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.08
Rot. Bonds7

About 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide (PubChem CID 103369722) has the molecular formula C8H13F6N3O2 and a molecular weight of 297.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide
PubChem CID103369722
Molecular FormulaC8H13F6N3O2
Molecular Weight297.20 g/mol
Exact Mass297.09
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCCOCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6N3O2/c9-7(10,11)4-19-2-1-16-3-5(6(15)17-18)8(12,13)14/h5,16,18H,1-4H2,(H2,15,17)
InChIKeyPYAWDTSFOUMKDA-UHFFFAOYSA-N
XLogP1.08
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
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
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 76205073
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76210947
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028729
N'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide (CID 103369722) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide is NC(=NO)C(CNCCOCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide?
The InChIKey is PYAWDTSFOUMKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6N3O2/c9-7(10,11)4-19-2-1-16-3-5(6(15)17-18)8(12,13)14/h5,16,18H,1-4H2,(H2,15,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide has a molecular weight of 297.20 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 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-(2,2,2-trifluoroethoxy)ethylamino]methyl]propanimidamide is sourced from PubChem (CID 103369722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).