2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide

C9H8F4N2O — CID 91755373

IUPAC2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(C(F)(F)F)cc1F)=N\O
InChIInChI=1S/C9H8F4N2O/c10-7-4-6(9(11,12)13)2-1-5(7)3-8(14)15-16/h1-2,4,16H,3H2,(H2,14,15)
InChIKeyPJXZTUOUVLIIMX-UHFFFAOYSA-N
MW236.17 g/mol
LogP2.13
Rot. Bonds2

About 2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide

2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide (PubChem CID 91755373) has the molecular formula C9H8F4N2O and a molecular weight of 236.17 g/mol. Its IUPAC name is 2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
PubChem CID91755373
Molecular FormulaC9H8F4N2O
Molecular Weight236.17 g/mol
Exact Mass236.06
IUPAC Name2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(C(F)(F)F)cc1F)=N\O
InChIInChI=1S/C9H8F4N2O/c10-7-4-6(9(11,12)13)2-1-5(7)3-8(14)15-16/h1-2,4,16H,3H2,(H2,14,15)
InChIKeyPJXZTUOUVLIIMX-UHFFFAOYSA-N
XLogP2.13
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide (CID 91755373) is 2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide is N/C(Cc1ccc(C(F)(F)F)cc1F)=N\O.
What is the InChIKey of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide?
The InChIKey is PJXZTUOUVLIIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O/c10-7-4-6(9(11,12)13)2-1-5(7)3-8(14)15-16/h1-2,4,16H,3H2,(H2,14,15).
What are the key properties of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide?
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide has a molecular weight of 236.17 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 91755373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).