N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide

C6H11F3N2O2 — CID 77120137

IUPACN'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide
SMILESCC(OCCC(N)=NO)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-4(6(7,8)9)13-3-2-5(10)11-12/h4,12H,2-3H2,1H3,(H2,10,11)
InChIKeyLWTZADLKTGXJIV-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.09
Rot. Bonds4

About N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide

N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide (PubChem CID 77120137) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide
PubChem CID77120137
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC NameN'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide
SMILESCC(OCCC(N)=NO)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-4(6(7,8)9)13-3-2-5(10)11-12/h4,12H,2-3H2,1H3,(H2,10,11)
InChIKeyLWTZADLKTGXJIV-UHFFFAOYSA-N
XLogP1.09
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide?
The IUPAC name of N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide (CID 77120137) is N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide is CC(OCCC(N)=NO)C(F)(F)F.
What is the InChIKey of N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide?
The InChIKey is LWTZADLKTGXJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-4(6(7,8)9)13-3-2-5(10)11-12/h4,12H,2-3H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide?
N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide has a molecular weight of 200.16 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide is sourced from PubChem (CID 77120137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).