3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide

C10H20F3N3O2 — CID 103369340

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
SMILESCC(C)N(CCCO)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-7(2)16(4-3-5-17)6-8(9(14)15-18)10(11,12)13/h7-8,17-18H,3-6H2,1-2H3,(H2,14,15)
InChIKeyOMOBTHXFXGRQRI-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.00
Rot. Bonds7

About 3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide (PubChem CID 103369340) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
PubChem CID103369340
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
SMILESCC(C)N(CCCO)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-7(2)16(4-3-5-17)6-8(9(14)15-18)10(11,12)13/h7-8,17-18H,3-6H2,1-2H3,(H2,14,15)
InChIKeyOMOBTHXFXGRQRI-UHFFFAOYSA-N
XLogP1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
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-[[methyl(2-methylpropyl)amino]methyl]propanimidamide
CID 103369251
3,3,3-trifluoro-N'-hydroxy-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]propanimidamide
CID 103369328
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103369443
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide
CID 103370112
3,3,3-trifluoro-N'-hydroxy-2-[(5-hydroxypentylamino)methyl]propanimidamide
CID 107317909
3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpentylamino)methyl]propanimidamide
CID 103369753
4-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248852
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(4-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369311
3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol
CID 66221489
N'-hydroxy-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 76912547
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-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide (CID 103369340) is 3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide is CC(C)N(CCCO)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide?
The InChIKey is OMOBTHXFXGRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-7(2)16(4-3-5-17)6-8(9(14)15-18)10(11,12)13/h7-8,17-18H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide has a molecular weight of 271.28 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).