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

C10H18F3N3O2 — CID 103370089

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide
SMILESCC1OCCC1N(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-6-8(3-4-18-6)16(2)5-7(9(14)15-17)10(11,12)13/h6-8,17H,3-5H2,1-2H3,(H2,14,15)
InChIKeyPNRJXKLIGRYMEG-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.02
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide (PubChem CID 103370089) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide
PubChem CID103370089
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide
SMILESCC1OCCC1N(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-6-8(3-4-18-6)16(2)5-7(9(14)15-17)10(11,12)13/h6-8,17H,3-5H2,1-2H3,(H2,14,15)
InChIKeyPNRJXKLIGRYMEG-UHFFFAOYSA-N
XLogP1.02
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(2,5-dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369258
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-4-yl)amino]methyl]propanimidamide
CID 103369269
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369302
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369310
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369347
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]propanimidamide
CID 103369351
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369354
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369358
2-[(2-cyclopentyloxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369719
3,3,3-trifluoro-N'-hydroxy-2-[(oxolan-3-ylamino)methyl]propanimidamide
CID 103370012
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanimidamide
CID 103370015
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methyloxolan-3-yl)amino]methyl]propanimidamide
CID 103370088

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide (CID 103370089) is 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide is CC1OCCC1N(C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide?
The InChIKey is PNRJXKLIGRYMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-6-8(3-4-18-6)16(2)5-7(9(14)15-17)10(11,12)13/h6-8,17H,3-5H2,1-2H3,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide has a molecular weight of 269.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).