2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

C10H12F2N2O2 — CID 107930246

IUPAC2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(OCC(F)F)c(/C(N)=N/O)c1
InChIInChI=1S/C10H12F2N2O2/c1-6-2-3-8(16-5-9(11)12)7(4-6)10(13)14-15/h2-4,9,15H,5H2,1H3,(H2,13,14)
InChIKeyQJXIKENXJDTOHT-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.73
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107930246) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107930246
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(OCC(F)F)c(/C(N)=N/O)c1
InChIInChI=1S/C10H12F2N2O2/c1-6-2-3-8(16-5-9(11)12)7(4-6)10(13)14-15/h2-4,9,15H,5H2,1H3,(H2,13,14)
InChIKeyQJXIKENXJDTOHT-UHFFFAOYSA-N
XLogP1.73
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.73
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-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930160
2-(2,2-difluoroethoxy)-5-methylaniline
CID 19622888
N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
CID 107930270
2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930251
N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 107930162
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
5-methyl-2-(2-methylpropoxy)benzenecarbothioamide
CID 107929464
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide
CID 107930155

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107930246) is 2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(OCC(F)F)c(/C(N)=N/O)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is QJXIKENXJDTOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6-2-3-8(16-5-9(11)12)7(4-6)10(13)14-15/h2-4,9,15H,5H2,1H3,(H2,13,14).
What are the key properties of 2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 230.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).