N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine

C7H5ClF3NO2 — CID 145273685

IUPACN-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
SMILESON(Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H5ClF3NO2/c8-12(13)5-1-3-6(4-2-5)14-7(9,10)11/h1-4,13H
InChIKeyKSLWEUGKPMHVLQ-UHFFFAOYSA-N
MW227.57 g/mol
LogP2.93
Rot. Bonds2

About N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine

N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine (PubChem CID 145273685) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
PubChem CID145273685
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC NameN-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
SMILESON(Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H5ClF3NO2/c8-12(13)5-1-3-6(4-2-5)14-7(9,10)11/h1-4,13H
InChIKeyKSLWEUGKPMHVLQ-UHFFFAOYSA-N
XLogP2.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
CID 144921521
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613
N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 11208214
2-[N-(2-chloroacetyl)-4-(trifluoromethoxy)anilino]acetic acid
CID 142764850
1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene
CID 59133252
trifluoromethoxybenzene
CID 157402708
2-chloro-2,2-difluoro-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 19915312
N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide
CID 57337680
1-buta-1,3-dien-2-yl-4-(trifluoromethoxy)benzene
CID 123349767
N-[(2Z)-4,5-dimethylhexa-2,4-dien-2-yl]-N-methyl-4-(trifluoromethoxy)aniline
CID 145347468
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine?
The IUPAC name of N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine (CID 145273685) is N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine.
What is the SMILES notation for N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine?
The canonical SMILES for N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine is ON(Cl)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine?
The InChIKey is KSLWEUGKPMHVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c8-12(13)5-1-3-6(4-2-5)14-7(9,10)11/h1-4,13H.
What are the key properties of N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine?
N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine has a molecular weight of 227.57 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine is sourced from PubChem (CID 145273685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).