2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide

C8H15F3N2O2 — CID 103370414

IUPAC2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCC(C)OCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-3-5(2)15-4-6(7(12)13-14)8(9,10)11/h5-6,14H,3-4H2,1-2H3,(H2,12,13)
InChIKeyNXHBYYDBGHRNKY-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.73
Rot. Bonds5

About 2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370414) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370414
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCC(C)OCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-3-5(2)15-4-6(7(12)13-14)8(9,10)11/h5-6,14H,3-4H2,1-2H3,(H2,12,13)
InChIKeyNXHBYYDBGHRNKY-UHFFFAOYSA-N
XLogP1.73
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-2-(2,2,2-trifluoroethoxy)propanimidamide
CID 61691808
N'-hydroxy-2-(2,2,2-trifluoroethoxy)propanimidamide
CID 76915103
N-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide
CID 24693201
N'-hydroxy-3-(2,2,2-trifluoroethoxy)pentanimidamide
CID 43175188
N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide
CID 43175339
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
N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)propanimidamide
CID 77102461
N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
CID 77102467
N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide
CID 77120137
2-(2,2-difluoroethoxy)-N'-hydroxypropanimidamide
CID 82004777
CID 82004982
CID 82004982

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370414) is 2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCC(C)OCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is NXHBYYDBGHRNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-3-5(2)15-4-6(7(12)13-14)8(9,10)11/h5-6,14H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 228.21 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).