3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide

C9H17F3N2O3 — CID 103370459

IUPAC3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide
SMILESCCCOCCOCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-2-3-16-4-5-17-6-7(8(13)14-15)9(10,11)12/h7,15H,2-6H2,1H3,(H2,13,14)
InChIKeyFADVGOQENGRKRZ-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.35
Rot. Bonds8

About 3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide (PubChem CID 103370459) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide
PubChem CID103370459
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide
SMILESCCCOCCOCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-2-3-16-4-5-17-6-7(8(13)14-15)9(10,11)12/h7,15H,2-6H2,1H3,(H2,13,14)
InChIKeyFADVGOQENGRKRZ-UHFFFAOYSA-N
XLogP1.35
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.35
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

N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide
CID 43368391
N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide
CID 43368846
3,3,3-trifluoro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethyl)propanimidamide
CID 103370324
3,3,3-trifluoro-N'-hydroxy-2-(methoxymethyl)propanimidamide
CID 103370326
2-(ethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370327
2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370328
3,3,3-trifluoro-N'-hydroxy-2-(2-methylpropoxymethyl)propanimidamide
CID 103370331
3,3,3-trifluoro-N'-hydroxy-2-(3-methylbutoxymethyl)propanimidamide
CID 103370333
3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide
CID 103370339
3,3,3-trifluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)propanimidamide
CID 103370347
2-(cyclopropylmethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370372
2-(2-butoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370383

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide (CID 103370459) is 3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide is CCCOCCOCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide?
The InChIKey is FADVGOQENGRKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-2-3-16-4-5-17-6-7(8(13)14-15)9(10,11)12/h7,15H,2-6H2,1H3,(H2,13,14).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide has a molecular weight of 258.24 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-(2-propoxyethoxymethyl)propanimidamide is sourced from PubChem (CID 103370459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).