2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide

C9H9F3N2O2 — CID 115281262

IUPAC2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(F)cccc1OCC(F)F
InChIInChI=1S/C9H9F3N2O2/c10-5-2-1-3-6(16-4-7(11)12)8(5)9(13)14-15/h1-3,7,15H,4H2,(H2,13,14)
InChIKeyRMOHFONYZBUOKJ-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.56
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide

2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 115281262) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID115281262
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(F)cccc1OCC(F)F
InChIInChI=1S/C9H9F3N2O2/c10-5-2-1-3-6(16-4-7(11)12)8(5)9(13)14-15/h1-3,7,15H,4H2,(H2,13,14)
InChIKeyRMOHFONYZBUOKJ-UHFFFAOYSA-N
XLogP1.56
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.56
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-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
CID 76914452
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
CID 74881969
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-fluoro-N'-hydroxy-6-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646212
2-fluoro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 43609287
2-fluoro-N'-hydroxy-6-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 74881945
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609289
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609277
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 11402917

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 115281262) is 2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(F)cccc1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is RMOHFONYZBUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-5-2-1-3-6(16-4-7(11)12)8(5)9(13)14-15/h1-3,7,15H,4H2,(H2,13,14).
What are the key properties of 2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 234.18 g/mol, XLogP of 1.56, 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)-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 115281262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).