2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide

C6H12F3N3O — CID 103369460

IUPAC2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C6H12F3N3O/c1-2-11-3-4(5(10)12-13)6(7,8)9/h4,11,13H,2-3H2,1H3,(H2,10,12)
InChIKeyDBPWZDOKFXFJMC-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.52
Rot. Bonds4

About 2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369460) has the molecular formula C6H12F3N3O and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369460
Molecular FormulaC6H12F3N3O
Molecular Weight199.18 g/mol
Exact Mass199.09
IUPAC Name2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C6H12F3N3O/c1-2-11-3-4(5(10)12-13)6(7,8)9/h4,11,13H,2-3H2,1H3,(H2,10,12)
InChIKeyDBPWZDOKFXFJMC-UHFFFAOYSA-N
XLogP0.52
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.52
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-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 43186225
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 60921497
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910344
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910355
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76910416
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910608
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910852
N'-hydroxy-2-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912533
N'-hydroxy-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912560
3-[2,2-difluoroethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917145
N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76917248

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369460) is 2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is DBPWZDOKFXFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O/c1-2-11-3-4(5(10)12-13)6(7,8)9/h4,11,13H,2-3H2,1H3,(H2,10,12).
What are the key properties of 2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 199.18 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).