N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide

C12H14F3N3O2 — CID 59556629

IUPACN'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-7-8(11(16)17-19)1-2-10(9)18-3-5-20-6-4-18/h1-2,7,19H,3-6H2,(H2,16,17)
InChIKeyGMZCTVSYHPHGGB-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.64
Rot. Bonds2

About N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 59556629) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID59556629
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-7-8(11(16)17-19)1-2-10(9)18-3-5-20-6-4-18/h1-2,7,19H,3-6H2,(H2,16,17)
InChIKeyGMZCTVSYHPHGGB-UHFFFAOYSA-N
XLogP1.64
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.64
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

4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
3-morpholin-4-yl-4-(trifluoromethyl)benzoic acid
CID 121472254
4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 154405509
N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 136967966
N'-hydroxy-4-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 76979954
4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
CID 70672464
N'-hydroxy-4-iodo-3-(trifluoromethyl)benzenecarboximidamide
CID 154660722
3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
CID 43658117
4-[4-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine
CID 88941861
3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
CID 88870309
3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 43658121

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide (CID 59556629) is N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is GMZCTVSYHPHGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)9-7-8(11(16)17-19)1-2-10(9)18-3-5-20-6-4-18/h1-2,7,19H,3-6H2,(H2,16,17).
What are the key properties of N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 289.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 59556629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).