O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine

C14H11ClF3NO — CID 58171465

IUPACO-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine
SMILESNOCc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO/c15-12-5-6-13(10(7-12)8-20-19)9-1-3-11(4-2-9)14(16,17)18/h1-7H,8,19H2
InChIKeyRUHPDAZWBZGXFP-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.42
Rot. Bonds3

About O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine

O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine (PubChem CID 58171465) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine
PubChem CID58171465
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC NameO-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine
SMILESNOCc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO/c15-12-5-6-13(10(7-12)8-20-19)9-1-3-11(4-2-9)14(16,17)18/h1-7H,8,19H2
InChIKeyRUHPDAZWBZGXFP-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine 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 O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine (CID 58171465) is O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine is NOCc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine?
The InChIKey is RUHPDAZWBZGXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-12-5-6-13(10(7-12)8-20-19)9-1-3-11(4-2-9)14(16,17)18/h1-7H,8,19H2.
What are the key properties of O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine?
O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine has a molecular weight of 301.70 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 58171465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).