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

C8H14F3N3O — CID 103369701

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide
SMILESCC1CC1NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H14F3N3O/c1-4-2-6(4)13-3-5(7(12)14-15)8(9,10)11/h4-6,13,15H,2-3H2,1H3,(H2,12,14)
InChIKeyLTQGJFXSDQYZOB-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.91
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide (PubChem CID 103369701) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide
PubChem CID103369701
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide
SMILESCC1CC1NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H14F3N3O/c1-4-2-6(4)13-3-5(7(12)14-15)8(9,10)11/h4-6,13,15H,2-3H2,1H3,(H2,12,14)
InChIKeyLTQGJFXSDQYZOB-UHFFFAOYSA-N
XLogP0.91
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.91
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

3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911842
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76911850
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76912507
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide
CID 76912508
N'-hydroxy-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912560
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029332
N'-hydroxy-3-(2,2,2-trifluoroethylamino)butanimidamide
CID 77029333
N'-hydroxy-3-(2,2,2-trifluoroethylamino)pentanimidamide
CID 77029757
N'-hydroxy-3-(3,3,3-trifluoropropylamino)pentanimidamide
CID 77030779
N'-hydroxy-2-methyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032721
N'-hydroxy-3-(3,3,3-trifluoropropylamino)butanimidamide
CID 77032865
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(propan-2-yl)amino]methyl]propanimidamide
CID 103369221

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide (CID 103369701) is 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide is CC1CC1NCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide?
The InChIKey is LTQGJFXSDQYZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c1-4-2-6(4)13-3-5(7(12)14-15)8(9,10)11/h4-6,13,15H,2-3H2,1H3,(H2,12,14).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopropyl)amino]methyl]propanimidamide has a molecular weight of 225.21 g/mol, XLogP of 0.91, 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-methylcyclopropyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).