N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide

C10H18F3N3O2 — CID 77070558

IUPACN'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCCOCC(F)(F)F)CC1)=NO
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7-18-4-3-15-6-9(1-2-9)5-8(14)16-17/h15,17H,1-7H2,(H2,14,16)
InChIKeyCJBNKESYDUUXNE-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.07
Rot. Bonds8

About N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77070558) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID77070558
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC NameN'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCCOCC(F)(F)F)CC1)=NO
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7-18-4-3-15-6-9(1-2-9)5-8(14)16-17/h15,17H,1-7H2,(H2,14,16)
InChIKeyCJBNKESYDUUXNE-UHFFFAOYSA-N
XLogP1.07
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
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-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide (CID 77070558) is N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide is NC(CC1(CNCCOCC(F)(F)F)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is CJBNKESYDUUXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)7-18-4-3-15-6-9(1-2-9)5-8(14)16-17/h15,17H,1-7H2,(H2,14,16).
What are the key properties of N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 269.27 g/mol, XLogP of 1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77070558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).