3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide

C10H18F3N3O2 — CID 103369636

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide
SMILESCC(NCC(C(N)=NO)C(F)(F)F)C1CCCO1
InChIInChI=1S/C10H18F3N3O2/c1-6(8-3-2-4-18-8)15-5-7(9(14)16-17)10(11,12)13/h6-8,15,17H,2-5H2,1H3,(H2,14,16)
InChIKeyCIJRDFRFFVBOFV-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.07
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide (PubChem CID 103369636) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide
PubChem CID103369636
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide
SMILESCC(NCC(C(N)=NO)C(F)(F)F)C1CCCO1
InChIInChI=1S/C10H18F3N3O2/c1-6(8-3-2-4-18-8)15-5-7(9(14)16-17)10(11,12)13/h6-8,15,17H,2-5H2,1H3,(H2,14,16)
InChIKeyCIJRDFRFFVBOFV-UHFFFAOYSA-N
XLogP1.07
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.07
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

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369310
3,3,3-trifluoro-N'-hydroxy-2-[(oxolan-2-ylmethylamino)methyl]propanimidamide
CID 103369555
3,3,3-trifluoro-N'-hydroxy-2-[(oxan-2-ylmethylamino)methyl]propanimidamide
CID 103369782
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanimidamide
CID 103369985
3,3,3-trifluoro-N'-hydroxy-2-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]propanimidamide
CID 103370013
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methyloxolan-3-yl)amino]methyl]propanimidamide
CID 103370088
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanimidamide
CID 113807953
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxycyclopentyl)amino]methyl]propanimidamide
CID 113807986
3,3,3-trifluoro-N'-hydroxy-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanimidamide
CID 113808003
N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylamino)propanimidamide
CID 77026110
N'-hydroxy-3-(oxolan-2-ylmethylamino)butanimidamide
CID 77026111
N'-hydroxy-3-(oxolan-2-ylmethylamino)pentanimidamide
CID 77026118

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide (CID 103369636) is 3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide is CC(NCC(C(N)=NO)C(F)(F)F)C1CCCO1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide?
The InChIKey is CIJRDFRFFVBOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-6(8-3-2-4-18-8)15-5-7(9(14)16-17)10(11,12)13/h6-8,15,17H,2-5H2,1H3,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide has a molecular weight of 269.27 g/mol, XLogP of 1.07, 5 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-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide is sourced from PubChem (CID 103369636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).