N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine

C9H7F6NO — CID 137418148

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine
SMILESCN(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO/c1-16(17)7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4,17H,1H3
InChIKeyFHNRGYNNYXGLDU-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.55
Rot. Bonds1

About N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine

N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine (PubChem CID 137418148) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine
PubChem CID137418148
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine
SMILESCN(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO/c1-16(17)7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4,17H,1H3
InChIKeyFHNRGYNNYXGLDU-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine (CID 137418148) is N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine is CN(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine?
The InChIKey is FHNRGYNNYXGLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c1-16(17)7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4,17H,1H3.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine?
N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine has a molecular weight of 259.15 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine is sourced from PubChem (CID 137418148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).