3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide

C10H10F4N2O2 — CID 24708972

IUPAC3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COCC(F)(F)F)c(F)c1
InChIInChI=1S/C10H10F4N2O2/c11-8-3-6(9(15)16-17)1-2-7(8)4-18-5-10(12,13)14/h1-3,17H,4-5H2,(H2,15,16)
InChIKeyKGOWHSZBNNBYMZ-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.00
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide (PubChem CID 24708972) has the molecular formula C10H10F4N2O2 and a molecular weight of 266.19 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
PubChem CID24708972
Molecular FormulaC10H10F4N2O2
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COCC(F)(F)F)c(F)c1
InChIInChI=1S/C10H10F4N2O2/c11-8-3-6(9(15)16-17)1-2-7(8)4-18-5-10(12,13)14/h1-3,17H,4-5H2,(H2,15,16)
InChIKeyKGOWHSZBNNBYMZ-UHFFFAOYSA-N
XLogP2.00
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.00
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

3-fluoro-N'-hydroxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 82955096
3-fluoro-4-(2,2,2-trifluoroethoxymethyl)benzenecarbothioamide
CID 24709272
4-(2,2-difluoroethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82005290
4-[(4-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82805765
3-fluoro-N'-hydroxy-4-(2-methylbutan-2-yloxymethyl)benzenecarboximidamide
CID 43128405
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 24708255
3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
CID 103283920
4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82806150
4-[(3,4-difluorophenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43554799
methyl 2-[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86721971
4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43185385

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide (CID 24708972) is 3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(COCC(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
The InChIKey is KGOWHSZBNNBYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2/c11-8-3-6(9(15)16-17)1-2-7(8)4-18-5-10(12,13)14/h1-3,17H,4-5H2,(H2,15,16).
What are the key properties of 3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide has a molecular weight of 266.19 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24708972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).