3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide

C6H12F3N3O2 — CID 103369629

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCCO)C(F)(F)F
InChIInChI=1S/C6H12F3N3O2/c7-6(8,9)4(5(10)12-14)3-11-1-2-13/h4,11,13-14H,1-3H2,(H2,10,12)
InChIKeyRMRNOPXAIPFNCP-UHFFFAOYSA-N
MW215.17 g/mol
LogP-0.51
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide (PubChem CID 103369629) has the molecular formula C6H12F3N3O2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide
PubChem CID103369629
Molecular FormulaC6H12F3N3O2
Molecular Weight215.17 g/mol
Exact Mass215.09
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCCO)C(F)(F)F
InChIInChI=1S/C6H12F3N3O2/c7-6(8,9)4(5(10)12-14)3-11-1-2-13/h4,11,13-14H,1-3H2,(H2,10,12)
InChIKeyRMRNOPXAIPFNCP-UHFFFAOYSA-N
XLogP-0.51
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
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-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028729
N'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide
CID 103369394
2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369454
3,3,3-trifluoro-N'-hydroxy-2-[(2-methoxyethylamino)methyl]propanimidamide
CID 103369474
3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxybutan-2-ylamino)methyl]propanimidamide
CID 103369624
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]propanimidamide
CID 103369625
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]propanimidamide
CID 103369627

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide (CID 103369629) is 3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide is NC(=NO)C(CNCCO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide?
The InChIKey is RMRNOPXAIPFNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2/c7-6(8,9)4(5(10)12-14)3-11-1-2-13/h4,11,13-14H,1-3H2,(H2,10,12).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide has a molecular weight of 215.17 g/mol, XLogP of -0.51, 5 rotatable bonds, 4 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-hydroxyethylamino)methyl]propanimidamide is sourced from PubChem (CID 103369629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).