2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide

C8H16F3N3O2 — CID 76929037

IUPAC2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide
SMILESCCN(CCOCC(F)(F)F)CC(N)=NO
InChIInChI=1S/C8H16F3N3O2/c1-2-14(5-7(12)13-15)3-4-16-6-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13)
InChIKeyHNESULCSIWSPQC-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.63
Rot. Bonds7

About 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide

2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide (PubChem CID 76929037) has the molecular formula C8H16F3N3O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide
PubChem CID76929037
Molecular FormulaC8H16F3N3O2
Molecular Weight243.23 g/mol
Exact Mass243.12
IUPAC Name2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide
SMILESCCN(CCOCC(F)(F)F)CC(N)=NO
InChIInChI=1S/C8H16F3N3O2/c1-2-14(5-7(12)13-15)3-4-16-6-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13)
InChIKeyHNESULCSIWSPQC-UHFFFAOYSA-N
XLogP0.63
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
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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Related Compounds

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
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997863
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
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 76205073
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76205672
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76210947
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide (CID 76929037) is 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide is CCN(CCOCC(F)(F)F)CC(N)=NO.
What is the InChIKey of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide?
The InChIKey is HNESULCSIWSPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2/c1-2-14(5-7(12)13-15)3-4-16-6-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13).
What are the key properties of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide?
2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide has a molecular weight of 243.23 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76929037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).