4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide

C8H8F2N2O2 — CID 83881115

IUPAC4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1cc(F)c(F)cc1/C(N)=N\O
InChIInChI=1S/C8H8F2N2O2/c1-14-7-3-6(10)5(9)2-4(7)8(11)12-13/h2-3,13H,1H3,(H2,11,12)
InChIKeyNCOUCGDLRZGHHR-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.07
Rot. Bonds2

About 4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide

4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 83881115) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID83881115
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1cc(F)c(F)cc1/C(N)=N\O
InChIInChI=1S/C8H8F2N2O2/c1-14-7-3-6(10)5(9)2-4(7)8(11)12-13/h2-3,13H,1H3,(H2,11,12)
InChIKeyNCOUCGDLRZGHHR-UHFFFAOYSA-N
XLogP1.07
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.07
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

N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide
CID 121290420
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
2,6-difluoro-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 59591431
N'-hydroxy-2-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 59202029
methyl 3-[(E)-N'-hydroxycarbamimidoyl]-4-methoxybenzoate
CID 51063639
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206
4-[(3-fluorophenyl)sulfanylmethyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106791844
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
CID 77004508
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 83881115) is 4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide is COc1cc(F)c(F)cc1/C(N)=N\O.
What is the InChIKey of 4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is NCOUCGDLRZGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-14-7-3-6(10)5(9)2-4(7)8(11)12-13/h2-3,13H,1H3,(H2,11,12).
What are the key properties of 4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide?
4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide has a molecular weight of 202.16 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 83881115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).