N-[4-(trifluoromethyl)phenyl]hydroxylamine

C7H6F3NO — CID 11966626

IUPACN-[4-(trifluoromethyl)phenyl]hydroxylamine
SMILESONc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)5-1-3-6(11-12)4-2-5/h1-4,11-12H
InChIKeyNTAIXIGXKYZIKV-UHFFFAOYSA-N
MW177.12 g/mol
LogP2.51
Rot. Bonds1

About N-[4-(trifluoromethyl)phenyl]hydroxylamine

N-[4-(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 11966626) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]hydroxylamine
PubChem CID11966626
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC NameN-[4-(trifluoromethyl)phenyl]hydroxylamine
SMILESONc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)5-1-3-6(11-12)4-2-5/h1-4,11-12H
InChIKeyNTAIXIGXKYZIKV-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]hydroxylamine (CID 11966626) is N-[4-(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]hydroxylamine is ONc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is NTAIXIGXKYZIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)5-1-3-6(11-12)4-2-5/h1-4,11-12H.
What are the key properties of N-[4-(trifluoromethyl)phenyl]hydroxylamine?
N-[4-(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 177.12 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 11966626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).