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

C6H9F6N3O — CID 103369569

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6N3O/c7-5(8,9)2-14-1-3(4(13)15-16)6(10,11)12/h3,14,16H,1-2H2,(H2,13,15)
InChIKeyRXGITMNSTBLGLY-UHFFFAOYSA-N
MW253.15 g/mol
LogP1.06
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide (PubChem CID 103369569) has the molecular formula C6H9F6N3O and a molecular weight of 253.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide
PubChem CID103369569
Molecular FormulaC6H9F6N3O
Molecular Weight253.15 g/mol
Exact Mass253.06
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6N3O/c7-5(8,9)2-14-1-3(4(13)15-16)6(10,11)12/h3,14,16H,1-2H2,(H2,13,15)
InChIKeyRXGITMNSTBLGLY-UHFFFAOYSA-N
XLogP1.06
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910852
N'-hydroxy-3-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029131
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029332
N'-hydroxy-4-(2,2,2-trifluoroethylamino)butanimidamide
CID 77029976
N'-hydroxy-4-(3,3,3-trifluoropropylamino)butanimidamide
CID 77030934
N'-hydroxy-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032720
N'-hydroxy-2-methyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032721
2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369233
2-[[ethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369243
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
CID 103369275
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369357

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide (CID 103369569) is 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide is NC(=NO)C(CNCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide?
The InChIKey is RXGITMNSTBLGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6N3O/c7-5(8,9)2-14-1-3(4(13)15-16)6(10,11)12/h3,14,16H,1-2H2,(H2,13,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide has a molecular weight of 253.15 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]propanimidamide is sourced from PubChem (CID 103369569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).