N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine

C7H5ClF3NO — CID 54381375

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
SMILESONc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5ClF3NO/c8-5-3-4(7(9,10)11)1-2-6(5)12-13/h1-3,12-13H
InChIKeyVADIUWXCZFIKAX-UHFFFAOYSA-N
MW211.57 g/mol
LogP3.16
Rot. Bonds1

About N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine

N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 54381375) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
PubChem CID54381375
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
SMILESONc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5ClF3NO/c8-5-3-4(7(9,10)11)1-2-6(5)12-13/h1-3,12-13H
InChIKeyVADIUWXCZFIKAX-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethenyl-4-(trifluoromethyl)aniline
CID 172629453
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
CID 114493143
[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969616
2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941371
3-[2-chloro-4-(trifluoromethyl)anilino]-2,2-dimethylpropanoic acid
CID 79623354
N'-tert-butyl-N-[2-chloro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107445058
4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 63667774
2-[[2-chloro-4-(trifluoromethyl)anilino]methyl]prop-2-enoic acid
CID 103250837
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine (CID 54381375) is N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine is ONc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is VADIUWXCZFIKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-5-3-4(7(9,10)11)1-2-6(5)12-13/h1-3,12-13H.
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine?
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 211.57 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 54381375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).