N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide

C10H11F3N2O — CID 159992522

IUPACN'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(CCC(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)6-5-7-1-3-8(4-2-7)9(14)15-16/h1-4,16H,5-6H2,(H2,14,15)
InChIKeyOHCZJSVRZOSLFF-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.28
Rot. Bonds3

About N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide

N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide (PubChem CID 159992522) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide
PubChem CID159992522
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC NameN'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(CCC(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)6-5-7-1-3-8(4-2-7)9(14)15-16/h1-4,16H,5-6H2,(H2,14,15)
InChIKeyOHCZJSVRZOSLFF-UHFFFAOYSA-N
XLogP2.28
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-hydroxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarboximidamide
CID 82788437
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
N'-hydroxy-4-[2-(3,3,3-trifluoropropoxy)ethoxy]benzenecarboximidamide
CID 82954695
[4-(3,3,3-trifluoropropyl)phenyl]methanamine
CID 126844791
4-[(E)-N'-hydroxycarbamimidoyl]-N-(5,5,5-trifluoropentyl)benzamide
CID 115521654
4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide
CID 156800040
N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708950
4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide
CID 172751333
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide (CID 159992522) is N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide is NC(=NO)c1ccc(CCC(F)(F)F)cc1.
What is the InChIKey of N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide?
The InChIKey is OHCZJSVRZOSLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)6-5-7-1-3-8(4-2-7)9(14)15-16/h1-4,16H,5-6H2,(H2,14,15).
What are the key properties of N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide?
N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide has a molecular weight of 232.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide is sourced from PubChem (CID 159992522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).