N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide

C9H18F3N3O2 — CID 77028924

IUPACN'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
SMILESNC(CCCCNCCOCC(F)(F)F)=NO
InChIInChI=1S/C9H18F3N3O2/c10-9(11,12)7-17-6-5-14-4-2-1-3-8(13)15-16/h14,16H,1-7H2,(H2,13,15)
InChIKeyCFALPHWECDHXCR-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.07
Rot. Bonds9

About N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide

N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide (PubChem CID 77028924) has the molecular formula C9H18F3N3O2 and a molecular weight of 257.26 g/mol. Its IUPAC name is N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
PubChem CID77028924
Molecular FormulaC9H18F3N3O2
Molecular Weight257.26 g/mol
Exact Mass257.14
IUPAC NameN'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide
SMILESNC(CCCCNCCOCC(F)(F)F)=NO
InChIInChI=1S/C9H18F3N3O2/c10-9(11,12)7-17-6-5-14-4-2-1-3-8(13)15-16/h14,16H,1-7H2,(H2,13,15)
InChIKeyCFALPHWECDHXCR-UHFFFAOYSA-N
XLogP1.07
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.07
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-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide (CID 77028924) is N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide is NC(CCCCNCCOCC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide?
The InChIKey is CFALPHWECDHXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2/c10-9(11,12)7-17-6-5-14-4-2-1-3-8(13)15-16/h14,16H,1-7H2,(H2,13,15).
What are the key properties of N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide?
N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide has a molecular weight of 257.26 g/mol, XLogP of 1.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanimidamide is sourced from PubChem (CID 77028924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).