O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine

C10H11ClF3NO2 — CID 117427096

IUPACO-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1CCON
InChIInChI=1S/C10H11ClF3NO2/c1-16-9-5-6(10(12,13)14)4-8(11)7(9)2-3-17-15/h4-5H,2-3,15H2,1H3
InChIKeyMGMGOAXONIJXNY-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.80
Rot. Bonds4

About O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine

O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine (PubChem CID 117427096) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
PubChem CID117427096
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC NameO-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1CCON
InChIInChI=1S/C10H11ClF3NO2/c1-16-9-5-6(10(12,13)14)4-8(11)7(9)2-3-17-15/h4-5H,2-3,15H2,1H3
InChIKeyMGMGOAXONIJXNY-UHFFFAOYSA-N
XLogP2.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine (CID 117427096) is O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine is COc1cc(C(F)(F)F)cc(Cl)c1CCON.
What is the InChIKey of O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is MGMGOAXONIJXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2/c1-16-9-5-6(10(12,13)14)4-8(11)7(9)2-3-17-15/h4-5H,2-3,15H2,1H3.
What are the key properties of O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 269.65 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117427096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).