O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride

C8H9ClF3NO — CID 18525982

IUPACO-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccccc1C(F)(F)F
InChIInChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-4-2-1-3-6(7)5-13-12;/h1-4H,5,12H2;1H
InChIKeySWWNCDJXXYTTSY-UHFFFAOYSA-N
MW227.61 g/mol
LogP2.52
Rot. Bonds2

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

O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride (PubChem CID 18525982) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
PubChem CID18525982
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC NameO-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccccc1C(F)(F)F
InChIInChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-4-2-1-3-6(7)5-13-12;/h1-4H,5,12H2;1H
InChIKeySWWNCDJXXYTTSY-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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bis[[2-(trifluoromethyl)phenyl]methyl] benzene-1,2-dicarboxylate
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[2-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
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ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
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O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine
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2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride (CID 18525982) is O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride is Cl.NOCc1ccccc1C(F)(F)F.
What is the InChIKey of O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
The InChIKey is SWWNCDJXXYTTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-4-2-1-3-6(7)5-13-12;/h1-4H,5,12H2;1H.
What are the key properties of O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride has a molecular weight of 227.61 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 18525982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).