trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide

C6H9F3N2O — CID 155819944

IUPACtrans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide
SMILESN/C(=N\O)[C@@H]1CC[C@H]1C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3(4)5(10)11-12/h3-4,12H,1-2H2,(H2,10,11)/t3-,4-/m1/s1
InChIKeyJJSOITKVOXFROC-QWWZWVQMSA-N
MW182.14 g/mol
LogP1.32
Rot. Bonds1

About trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide

trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide (PubChem CID 155819944) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide
PubChem CID155819944
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Nametrans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide
SMILESN/C(=N\O)[C@@H]1CC[C@H]1C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3(4)5(10)11-12/h3-4,12H,1-2H2,(H2,10,11)/t3-,4-/m1/s1
InChIKeyJJSOITKVOXFROC-QWWZWVQMSA-N
XLogP1.32
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide?
The IUPAC name of trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide (CID 155819944) is trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide.
What is the SMILES notation for trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide?
The canonical SMILES for trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide is N/C(=N\O)[C@@H]1CC[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide?
The InChIKey is JJSOITKVOXFROC-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3(4)5(10)11-12/h3-4,12H,1-2H2,(H2,10,11)/t3-,4-/m1/s1.
What are the key properties of trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide?
trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide has a molecular weight of 182.14 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide is sourced from PubChem (CID 155819944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).