N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide

C12H14F3N3O2 — CID 43138686

IUPACN'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)10-7-8(18-3-5-20-6-4-18)1-2-9(10)11(16)17-19/h1-2,7,19H,3-6H2,(H2,16,17)
InChIKeyCYYBLOAWYVXDIU-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.64
Rot. Bonds2

About N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43138686) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43138686
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)10-7-8(18-3-5-20-6-4-18)1-2-9(10)11(16)17-19/h1-2,7,19H,3-6H2,(H2,16,17)
InChIKeyCYYBLOAWYVXDIU-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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide (CID 43138686) is N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is CYYBLOAWYVXDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)10-7-8(18-3-5-20-6-4-18)1-2-9(10)11(16)17-19/h1-2,7,19H,3-6H2,(H2,16,17).
What are the key properties of N'-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-4-morpholin-4-yl-2-(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-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43138686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).