N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide

C7H14F3N3O2 — CID 77028729

IUPACN'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
SMILESNC(CCNCCOCC(F)(F)F)=NO
InChIInChI=1S/C7H14F3N3O2/c8-7(9,10)5-15-4-3-12-2-1-6(11)13-14/h12,14H,1-5H2,(H2,11,13)
InChIKeySVNDNUPWYQJMCH-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.29
Rot. Bonds7

About N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide

N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide (PubChem CID 77028729) has the molecular formula C7H14F3N3O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
PubChem CID77028729
Molecular FormulaC7H14F3N3O2
Molecular Weight229.20 g/mol
Exact Mass229.10
IUPAC NameN'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
SMILESNC(CCNCCOCC(F)(F)F)=NO
InChIInChI=1S/C7H14F3N3O2/c8-7(9,10)5-15-4-3-12-2-1-6(11)13-14/h12,14H,1-5H2,(H2,11,13)
InChIKeySVNDNUPWYQJMCH-UHFFFAOYSA-N
XLogP0.29
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide (CID 77028729) is N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide is NC(CCNCCOCC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide?
The InChIKey is SVNDNUPWYQJMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2/c8-7(9,10)5-15-4-3-12-2-1-6(11)13-14/h12,14H,1-5H2,(H2,11,13).
What are the key properties of N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide?
N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide has a molecular weight of 229.20 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide is sourced from PubChem (CID 77028729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).