O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine

C8H8F3NO — CID 2737778

IUPACO-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-13-12/h1-4H,5,12H2
InChIKeyOSGYPUBYTWDYMZ-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.10
Rot. Bonds2

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

O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 2737778) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID2737778
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC NameO-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-13-12/h1-4H,5,12H2
InChIKeyOSGYPUBYTWDYMZ-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.10
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

Benzyloxyamine hydrochloride
CID 102312
O-Benzylhydroxylamine
CID 102313
O-((3-(Trifluoromethyl)phenyl)methyl)hydroxylamine--hydrogen chloride (1/1)
CID 203812
Hydroxylamine, O-((4-methylphenyl)methyl)-, hydrochloride (1:1)
CID 217575
4-(Trifluoromethyl)benzenemethanol
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o-(4-Fluorobenzyl)hydroxylamine hydrochloride
CID 12800721
o-(3-Fluorobenzyl)hydroxylamine hydrochloride
CID 23206139
4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)benzyl alcohol
CID 16211365
4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)benzyl alcohol
CID 16211438
4-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)benzyl alcohol
CID 16211129
O-(4-Biphenylylmethyl)hydroxylamine Hydrochloride
CID 22989894
O-(2-Iodobenzyl)hydroxylamine hydrochloride
CID 45158558

Frequently Asked Questions

What is the IUPAC name of O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 2737778) is O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine is NOCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is OSGYPUBYTWDYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-13-12/h1-4H,5,12H2.
What are the key properties of O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine?
O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 191.15 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 2737778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).