N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide

C7H14F3N3O2 — CID 77100267

IUPACN'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
SMILESCN(CCOC(F)(F)F)CCC(N)=NO
InChIInChI=1S/C7H14F3N3O2/c1-13(3-2-6(11)12-14)4-5-15-7(8,9)10/h14H,2-5H2,1H3,(H2,11,12)
InChIKeyPKDINCXLSHVDRO-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.59
Rot. Bonds6

About N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide

N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide (PubChem CID 77100267) has the molecular formula C7H14F3N3O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
PubChem CID77100267
Molecular FormulaC7H14F3N3O2
Molecular Weight229.20 g/mol
Exact Mass229.10
IUPAC NameN'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
SMILESCN(CCOC(F)(F)F)CCC(N)=NO
InChIInChI=1S/C7H14F3N3O2/c1-13(3-2-6(11)12-14)4-5-15-7(8,9)10/h14H,2-5H2,1H3,(H2,11,12)
InChIKeyPKDINCXLSHVDRO-UHFFFAOYSA-N
XLogP0.59
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.59
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

N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54961975
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxypropanimidamide
CID 54992505
3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54997582
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997863
3-[2-Methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63223935
3-[2,2-Difluoroethyl(2-methoxyethyl)amino]propanimidamide
CID 63285679

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide (CID 77100267) is N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide is CN(CCOC(F)(F)F)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
The InChIKey is PKDINCXLSHVDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2/c1-13(3-2-6(11)12-14)4-5-15-7(8,9)10/h14H,2-5H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide has a molecular weight of 229.20 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide is sourced from PubChem (CID 77100267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).