O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride

C7H7ClF3NO2 — CID 162421871

IUPACO-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride
SMILESCl.NOc1ccccc1OC(F)(F)F
InChIInChI=1S/C7H6F3NO2.ClH/c8-7(9,10)12-5-3-1-2-4-6(5)13-11;/h1-4H,11H2;1H
InChIKeyHYHQAFWVCUOCRO-UHFFFAOYSA-N
MW229.59 g/mol
LogP2.26
Rot. Bonds2

About O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride

O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride (PubChem CID 162421871) has the molecular formula C7H7ClF3NO2 and a molecular weight of 229.59 g/mol. Its IUPAC name is O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride
PubChem CID162421871
Molecular FormulaC7H7ClF3NO2
Molecular Weight229.59 g/mol
Exact Mass229.01
IUPAC NameO-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride
SMILESCl.NOc1ccccc1OC(F)(F)F
InChIInChI=1S/C7H6F3NO2.ClH/c8-7(9,10)12-5-3-1-2-4-6(5)13-11;/h1-4H,11H2;1H
InChIKeyHYHQAFWVCUOCRO-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.59
LogP ≤ 52.26
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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Related Compounds

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CID 69022411
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(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
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CID 6933712
1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride
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2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium
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(1S)-4,4,4-trifluoro-1-[2-(trifluoromethoxy)phenyl]butan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride (CID 162421871) is O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride is Cl.NOc1ccccc1OC(F)(F)F.
What is the InChIKey of O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride?
The InChIKey is HYHQAFWVCUOCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2.ClH/c8-7(9,10)12-5-3-1-2-4-6(5)13-11;/h1-4H,11H2;1H.
What are the key properties of O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride?
O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride has a molecular weight of 229.59 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 162421871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).