(1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride

C6H7ClF3NO2 — CID 155254536

IUPAC(1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride
SMILESO/N=C(\Cl)C1CC(OC(F)(F)F)C1
InChIInChI=1S/C6H7ClF3NO2/c7-5(11-12)3-1-4(2-3)13-6(8,9)10/h3-4,12H,1-2H2/b11-5-
InChIKeyJZOCVYLSEARHDD-WZUFQYTHSA-N
MW217.57 g/mol
LogP2.33
Rot. Bonds2

About (1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride

(1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride (PubChem CID 155254536) has the molecular formula C6H7ClF3NO2 and a molecular weight of 217.57 g/mol. Its IUPAC name is (1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride
PubChem CID155254536
Molecular FormulaC6H7ClF3NO2
Molecular Weight217.57 g/mol
Exact Mass217.01
IUPAC Name(1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride
SMILESO/N=C(\Cl)C1CC(OC(F)(F)F)C1
InChIInChI=1S/C6H7ClF3NO2/c7-5(11-12)3-1-4(2-3)13-6(8,9)10/h3-4,12H,1-2H2/b11-5-
InChIKeyJZOCVYLSEARHDD-WZUFQYTHSA-N
XLogP2.33
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.57
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride (CID 155254536) is (1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride is O/N=C(\Cl)C1CC(OC(F)(F)F)C1.
What is the InChIKey of (1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride?
The InChIKey is JZOCVYLSEARHDD-WZUFQYTHSA-N. The full InChI is InChI=1S/C6H7ClF3NO2/c7-5(11-12)3-1-4(2-3)13-6(8,9)10/h3-4,12H,1-2H2/b11-5-.
What are the key properties of (1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride?
(1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride has a molecular weight of 217.57 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-3-(trifluoromethoxy)cyclobutane-1-carboximidoyl chloride is sourced from PubChem (CID 155254536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).