2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C8H16F3N3O2 — CID 103369454

IUPAC2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCOCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H16F3N3O2/c1-2-16-4-3-13-5-6(7(12)14-15)8(9,10)11/h6,13,15H,2-5H2,1H3,(H2,12,14)
InChIKeyYGRQQFJIWLXFHA-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.54
Rot. Bonds7

About 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369454) has the molecular formula C8H16F3N3O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369454
Molecular FormulaC8H16F3N3O2
Molecular Weight243.23 g/mol
Exact Mass243.12
IUPAC Name2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCOCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H16F3N3O2/c1-2-16-4-3-13-5-6(7(12)14-15)8(9,10)11/h6,13,15H,2-5H2,1H3,(H2,12,14)
InChIKeyYGRQQFJIWLXFHA-UHFFFAOYSA-N
XLogP0.54
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.54
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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Related Compounds

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987484
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
N'-hydroxy-2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54991982
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
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 55261278
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
2-Methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61577915
3-[2-Methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61662607

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369454) is 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCOCCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is YGRQQFJIWLXFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2/c1-2-16-4-3-13-5-6(7(12)14-15)8(9,10)11/h6,13,15H,2-5H2,1H3,(H2,12,14).
What are the key properties of 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 243.23 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).