3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide

C10H19F3N4O2 — CID 103369578

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N4O2/c11-10(12,13)8(9(14)16-18)7-15-1-2-17-3-5-19-6-4-17/h8,15,18H,1-7H2,(H2,14,16)
InChIKeyQDGFKBUGRLJHGE-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.17
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide (PubChem CID 103369578) has the molecular formula C10H19F3N4O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide
PubChem CID103369578
Molecular FormulaC10H19F3N4O2
Molecular Weight284.28 g/mol
Exact Mass284.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N4O2/c11-10(12,13)8(9(14)16-18)7-15-1-2-17-3-5-19-6-4-17/h8,15,18H,1-7H2,(H2,14,16)
InChIKeyQDGFKBUGRLJHGE-UHFFFAOYSA-N
XLogP-0.17
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
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

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'-hydroxy-2-methylpropanimidamide
CID 76204705
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide
CID 77011914
N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]butanimidamide
CID 77012153
N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propanimidamide
CID 77012503
N'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730
N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]ethanimidamide
CID 77100301
3,3,3-trifluoro-N'-hydroxy-2-(morpholin-4-ylmethyl)propanimidamide
CID 103369204
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369210

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide (CID 103369578) is 3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide is NC(=NO)C(CNCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide?
The InChIKey is QDGFKBUGRLJHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2/c11-10(12,13)8(9(14)16-18)7-15-1-2-17-3-5-19-6-4-17/h8,15,18H,1-7H2,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(2-morpholin-4-ylethylamino)methyl]propanimidamide has a molecular weight of 284.28 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 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-morpholin-4-ylethylamino)methyl]propanimidamide is sourced from PubChem (CID 103369578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).