2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide

C9H8ClF3N2O2 — CID 55079423

IUPAC2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1c(Cl)cccc1OCC(F)(F)F
InChIInChI=1S/C9H8ClF3N2O2/c10-5-2-1-3-6(7(5)8(14)15-16)17-4-9(11,12)13/h1-3,16H,4H2,(H2,14,15)
InChIKeyRIEPAFTWCXHYPH-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.38
Rot. Bonds3

About 2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide

2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide (PubChem CID 55079423) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
PubChem CID55079423
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1c(Cl)cccc1OCC(F)(F)F
InChIInChI=1S/C9H8ClF3N2O2/c10-5-2-1-3-6(7(5)8(14)15-16)17-4-9(11,12)13/h1-3,16H,4H2,(H2,14,15)
InChIKeyRIEPAFTWCXHYPH-UHFFFAOYSA-N
XLogP2.38
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.38
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

2-chloro-6-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 62496555
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317
2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 76944983
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114323283
2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 114883471
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-chloro-N'-hydroxy-6-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 114323249
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide (CID 55079423) is 2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide is N/C(=N/O)c1c(Cl)cccc1OCC(F)(F)F.
What is the InChIKey of 2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
The InChIKey is RIEPAFTWCXHYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c10-5-2-1-3-6(7(5)8(14)15-16)17-4-9(11,12)13/h1-3,16H,4H2,(H2,14,15).
What are the key properties of 2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide has a molecular weight of 268.62 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide is sourced from PubChem (CID 55079423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).