3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide

C8H8F2N2O2 — CID 58083443

IUPAC3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cc(F)c(CO)c(F)c1
InChIInChI=1S/C8H8F2N2O2/c9-6-1-4(8(11)12-14)2-7(10)5(6)3-13/h1-2,13-14H,3H2,(H2,11,12)
InChIKeyUWKDRYVGZMIVEW-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.55
Rot. Bonds2

About 3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide

3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide (PubChem CID 58083443) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
PubChem CID58083443
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cc(F)c(CO)c(F)c1
InChIInChI=1S/C8H8F2N2O2/c9-6-1-4(8(11)12-14)2-7(10)5(6)3-13/h1-2,13-14H,3H2,(H2,11,12)
InChIKeyUWKDRYVGZMIVEW-UHFFFAOYSA-N
XLogP0.55
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.55
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide (CID 58083443) is 3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide is N/C(=N\O)c1cc(F)c(CO)c(F)c1.
What is the InChIKey of 3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide?
The InChIKey is UWKDRYVGZMIVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-6-1-4(8(11)12-14)2-7(10)5(6)3-13/h1-2,13-14H,3H2,(H2,11,12).
What are the key properties of 3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide?
3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide has a molecular weight of 202.16 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide is sourced from PubChem (CID 58083443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).