N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine

C8H8F3NO2 — CID 82684299

IUPACN-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
SMILESONCc1ccccc1OC(F)(F)F
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)14-7-4-2-1-3-6(7)5-12-13/h1-4,12-13H,5H2
InChIKeyJIORNOSDTYSXNC-UHFFFAOYSA-N
MW207.15 g/mol
LogP2.06
Rot. Bonds3

About N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine

N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine (PubChem CID 82684299) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
PubChem CID82684299
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC NameN-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
SMILESONCc1ccccc1OC(F)(F)F
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)14-7-4-2-1-3-6(7)5-12-13/h1-4,12-13H,5H2
InChIKeyJIORNOSDTYSXNC-UHFFFAOYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
CID 142546618
CID 142546618
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
[1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol
CID 79479077

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine (CID 82684299) is N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine is ONCc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine?
The InChIKey is JIORNOSDTYSXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)14-7-4-2-1-3-6(7)5-12-13/h1-4,12-13H,5H2.
What are the key properties of N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine?
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine has a molecular weight of 207.15 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 82684299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).