2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C6H12F3N3O — CID 103369233

IUPAC2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C6H12F3N3O/c1-12(2)3-4(5(10)11-13)6(7,8)9/h4,13H,3H2,1-2H3,(H2,10,11)
InChIKeyPFUMXLYQTWPLEB-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.47
Rot. Bonds3

About 2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369233) has the molecular formula C6H12F3N3O and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369233
Molecular FormulaC6H12F3N3O
Molecular Weight199.18 g/mol
Exact Mass199.09
IUPAC Name2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C6H12F3N3O/c1-12(2)3-4(5(10)11-13)6(7,8)9/h4,13H,3H2,1-2H3,(H2,10,11)
InChIKeyPFUMXLYQTWPLEB-UHFFFAOYSA-N
XLogP0.47
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.47
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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Related Compounds

CID 43186225
CID 43186225
CID 60890616
CID 60890616
CID 60890994
CID 60890994
CID 60891945
CID 60891945
CID 60921497
CID 60921497
CID 61577850
CID 61577850
CID 76883641
CID 76883641
CID 76910344
CID 76910344
CID 76910355
CID 76910355
CID 76910416
CID 76910416
CID 76910608
CID 76910608
CID 76910852
CID 76910852

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369233) is 2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CN(C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is PFUMXLYQTWPLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O/c1-12(2)3-4(5(10)11-13)6(7,8)9/h4,13H,3H2,1-2H3,(H2,10,11).
What are the key properties of 2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 199.18 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).