3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide

C7H14F3N3O — CID 76910416

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-2-13(5-7(8,9)10)4-3-6(11)12-14/h14H,2-5H2,1H3,(H2,11,12)
InChIKeyXZAQPULPVQUYGA-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.01
Rot. Bonds5

About 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide

3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76910416) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76910416
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-2-13(5-7(8,9)10)4-3-6(11)12-14/h14H,2-5H2,1H3,(H2,11,12)
InChIKeyXZAQPULPVQUYGA-UHFFFAOYSA-N
XLogP1.01
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide (CID 76910416) is 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)CC(F)(F)F.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is XZAQPULPVQUYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-2-13(5-7(8,9)10)4-3-6(11)12-14/h14H,2-5H2,1H3,(H2,11,12).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide?
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 213.20 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76910416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).