N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide

C7H13F3N2O2 — CID 77102467

IUPACN'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
SMILESCC(OCCCC(N)=NO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-5(7(8,9)10)14-4-2-3-6(11)12-13/h5,13H,2-4H2,1H3,(H2,11,12)
InChIKeyWTSJIGKHAQJISJ-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.48
Rot. Bonds5

About N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide

N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide (PubChem CID 77102467) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
PubChem CID77102467
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC NameN'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
SMILESCC(OCCCC(N)=NO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-5(7(8,9)10)14-4-2-3-6(11)12-13/h5,13H,2-4H2,1H3,(H2,11,12)
InChIKeyWTSJIGKHAQJISJ-UHFFFAOYSA-N
XLogP1.48
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
The IUPAC name of N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide (CID 77102467) is N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide is CC(OCCCC(N)=NO)C(F)(F)F.
What is the InChIKey of N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
The InChIKey is WTSJIGKHAQJISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-5(7(8,9)10)14-4-2-3-6(11)12-13/h5,13H,2-4H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide has a molecular weight of 214.19 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide is sourced from PubChem (CID 77102467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).