4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide

C8H6F4N2O2 — CID 123403240

IUPAC4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C8H6F4N2O2/c9-5-2-1-4(7(13)14-15)3-6(5)16-8(10,11)12/h1-3,15H,(H2,13,14)
InChIKeyAWTBUTLOYGGMGM-UHFFFAOYSA-N
MW238.14 g/mol
LogP1.82
Rot. Bonds2

About 4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide

4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide (PubChem CID 123403240) has the molecular formula C8H6F4N2O2 and a molecular weight of 238.14 g/mol. Its IUPAC name is 4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
PubChem CID123403240
Molecular FormulaC8H6F4N2O2
Molecular Weight238.14 g/mol
Exact Mass238.04
IUPAC Name4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C8H6F4N2O2/c9-5-2-1-4(7(13)14-15)3-6(5)16-8(10,11)12/h1-3,15H,(H2,13,14)
InChIKeyAWTBUTLOYGGMGM-UHFFFAOYSA-N
XLogP1.82
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 51.82
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-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
2-bromo-1-[4-fluoro-3-(trifluoromethoxy)phenyl]ethanone
CID 98041667
3-fluoro-N',4-dihydroxybenzenecarboximidamide
CID 135741555
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
[4-fluoro-3-(trifluoromethoxy)phenyl] carbamate
CID 175536040
4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666251
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide
CID 155020410
3-fluoro-N'-hydroxy-4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24708972
3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82800024

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide?
The IUPAC name of 4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide (CID 123403240) is 4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide?
The canonical SMILES for 4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide is NC(=NO)c1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide?
The InChIKey is AWTBUTLOYGGMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O2/c9-5-2-1-4(7(13)14-15)3-6(5)16-8(10,11)12/h1-3,15H,(H2,13,14).
What are the key properties of 4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide?
4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide has a molecular weight of 238.14 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide is sourced from PubChem (CID 123403240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).