2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide

C9H8F4N2O3 — CID 11402917

IUPAC2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1c(OC(F)F)cccc1OC(F)F
InChIInChI=1S/C9H8F4N2O3/c10-8(11)17-4-2-1-3-5(18-9(12)13)6(4)7(14)15-16/h1-3,8-9,16H,(H2,14,15)
InChIKeyGKULLOATFFCITA-UHFFFAOYSA-N
MW268.17 g/mol
LogP1.98
Rot. Bonds5

About 2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide

2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 11402917) has the molecular formula C9H8F4N2O3 and a molecular weight of 268.17 g/mol. Its IUPAC name is 2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID11402917
Molecular FormulaC9H8F4N2O3
Molecular Weight268.17 g/mol
Exact Mass268.05
IUPAC Name2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1c(OC(F)F)cccc1OC(F)F
InChIInChI=1S/C9H8F4N2O3/c10-8(11)17-4-2-1-3-5(18-9(12)13)6(4)7(14)15-16/h1-3,8-9,16H,(H2,14,15)
InChIKeyGKULLOATFFCITA-UHFFFAOYSA-N
XLogP1.98
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-propan-2-yloxybenzenecarboximidamide
CID 74881969
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide
CID 114883423
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide
CID 77030017
2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 114883471
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine;hydroiodide
CID 111498125

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide (CID 11402917) is 2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1c(OC(F)F)cccc1OC(F)F.
What is the InChIKey of 2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is GKULLOATFFCITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O3/c10-8(11)17-4-2-1-3-5(18-9(12)13)6(4)7(14)15-16/h1-3,8-9,16H,(H2,14,15).
What are the key properties of 2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide?
2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 268.17 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 11402917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).