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

C7H6Cl2F3NO — CID 23155082

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
SMILESCl.ONc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3NO.ClH/c8-6-2-1-4(12-13)3-5(6)7(9,10)11;/h1-3,12-13H;1H
InChIKeyVGXSSEJUYUQQSH-UHFFFAOYSA-N
MW248.03 g/mol
LogP3.58
Rot. Bonds1

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

N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride (PubChem CID 23155082) has the molecular formula C7H6Cl2F3NO and a molecular weight of 248.03 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
PubChem CID23155082
Molecular FormulaC7H6Cl2F3NO
Molecular Weight248.03 g/mol
Exact Mass246.98
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
SMILESCl.ONc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3NO.ClH/c8-6-2-1-4(12-13)3-5(6)7(9,10)11;/h1-3,12-13H;1H
InChIKeyVGXSSEJUYUQQSH-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.03
LogP ≤ 53.58
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

1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]thiourea
CID 4763346
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea;hydroiodide
CID 87582100
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119675447
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dihydroxyphenyl)urea
CID 108895420
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride (CID 23155082) is N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride is Cl.ONc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride?
The InChIKey is VGXSSEJUYUQQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO.ClH/c8-6-2-1-4(12-13)3-5(6)7(9,10)11;/h1-3,12-13H;1H.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride?
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride has a molecular weight of 248.03 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 23155082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).