3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide

C7H14F3N3O2 — CID 103369630

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide
SMILESCC(CO)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C7H14F3N3O2/c1-4(3-14)12-2-5(6(11)13-15)7(8,9)10/h4-5,12,14-15H,2-3H2,1H3,(H2,11,13)
InChIKeyRWFFWCAQBBFLHR-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.12
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide (PubChem CID 103369630) has the molecular formula C7H14F3N3O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide
PubChem CID103369630
Molecular FormulaC7H14F3N3O2
Molecular Weight229.20 g/mol
Exact Mass229.10
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide
SMILESCC(CO)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C7H14F3N3O2/c1-4(3-14)12-2-5(6(11)13-15)7(8,9)10/h4-5,12,14-15H,2-3H2,1H3,(H2,11,13)
InChIKeyRWFFWCAQBBFLHR-UHFFFAOYSA-N
XLogP-0.12
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

3,3,3-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
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
CID 103369340
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341
3,3,3-trifluoro-N'-hydroxy-2-[(2-methoxyethylamino)methyl]propanimidamide
CID 103369474
3,3,3-trifluoro-N'-hydroxy-2-[(1-methoxypropan-2-ylamino)methyl]propanimidamide
CID 103369499
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
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide
CID 103369628
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide
CID 103369629

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide (CID 103369630) is 3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide is CC(CO)NCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide?
The InChIKey is RWFFWCAQBBFLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2/c1-4(3-14)12-2-5(6(11)13-15)7(8,9)10/h4-5,12,14-15H,2-3H2,1H3,(H2,11,13).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide has a molecular weight of 229.20 g/mol, XLogP of -0.12, 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-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide is sourced from PubChem (CID 103369630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).