O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride

C8H8Cl2F3NO — CID 127039239

IUPACO-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO.ClH/c9-7-2-1-5(4-14-13)3-6(7)8(10,11)12;/h1-3H,4,13H2;1H
InChIKeyPMVOIVSNZMCGPU-UHFFFAOYSA-N
MW262.06 g/mol
LogP3.17
Rot. Bonds2

About O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride

O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride (PubChem CID 127039239) has the molecular formula C8H8Cl2F3NO and a molecular weight of 262.06 g/mol. Its IUPAC name is O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
PubChem CID127039239
Molecular FormulaC8H8Cl2F3NO
Molecular Weight262.06 g/mol
Exact Mass260.99
IUPAC NameO-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO.ClH/c9-7-2-1-5(4-14-13)3-6(7)8(10,11)12;/h1-3H,4,13H2;1H
InChIKeyPMVOIVSNZMCGPU-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 53.17
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

O-((3-(Trifluoromethyl)phenyl)methyl)hydroxylamine--hydrogen chloride (1/1)
CID 203812
Hydroxylamine, O-((4-chlorophenyl)methyl)-, hydrochloride (1:1)
CID 217573
O-(2,4-Dichlorobenzyl)hydroxylamine hydrochloride
CID 2764014
O-(2-Chlorobenzyl)hydroxylamine hydrochloride
CID 19974989
O-[(2-chloro-4-iodophenyl)methyl]hydroxylamine;hydrochloride
CID 127038190
O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
CID 155520170
O-(2-chloro-6-fluorobenzyl)hydroxylamine
CID 454219
O-(2-Chlorobenzyl)hydroxylamine
CID 468122
O-(2,4-Dichlorobenzyl)hydroxylamine
CID 468125
O-[(4-chlorophenyl)methyl]hydroxylamine
CID 217574
2-Chloro-5-(trifluoromethyl)benzylalcohol
CID 2778110
4-Chloro-3-(trifluoromethyl)benzyl alcohol
CID 2778111

Frequently Asked Questions

What is the IUPAC name of O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride (CID 127039239) is O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride is Cl.NOCc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
The InChIKey is PMVOIVSNZMCGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO.ClH/c9-7-2-1-5(4-14-13)3-6(7)8(10,11)12;/h1-3H,4,13H2;1H.
What are the key properties of O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride?
O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride has a molecular weight of 262.06 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 127039239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).