N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine

C8H8F3NO — CID 22087248

IUPACN-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine
SMILESCc1cc(NO)cc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c1-5-2-6(8(9,10)11)4-7(3-5)12-13/h2-4,12-13H,1H3
InChIKeyJAWAUMVDWTVMRE-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.81
Rot. Bonds1

About N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine

N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 22087248) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine
PubChem CID22087248
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC NameN-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine
SMILESCc1cc(NO)cc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c1-5-2-6(8(9,10)11)4-7(3-5)12-13/h2-4,12-13H,1H3
InChIKeyJAWAUMVDWTVMRE-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.81
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-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine (CID 22087248) is N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine is Cc1cc(NO)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is JAWAUMVDWTVMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-5-2-6(8(9,10)11)4-7(3-5)12-13/h2-4,12-13H,1H3.
What are the key properties of N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine?
N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 191.15 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 22087248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).