N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine

C7H6ClF2NO — CID 117284233

IUPACN-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
SMILESONCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C7H6ClF2NO/c8-7-4(3-11-12)5(9)1-2-6(7)10/h1-2,11-12H,3H2
InChIKeyQBLDZNHIJLZCNN-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.10
Rot. Bonds2

About N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine

N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine (PubChem CID 117284233) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
PubChem CID117284233
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC NameN-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
SMILESONCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C7H6ClF2NO/c8-7-4(3-11-12)5(9)1-2-6(7)10/h1-2,11-12H,3H2
InChIKeyQBLDZNHIJLZCNN-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
CID 117281310
2-chloro-4-fluoro-3-(methylaminomethyl)phenol
CID 84771303
3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
CID 117276872
N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84796698
3-chloro-4-fluoro-2-(methylaminomethyl)phenol
CID 83877302
N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine
CID 84804789
N-[(2-chloro-3,6-difluorophenyl)methyl]cyclopropanecarboxamide;formic acid
CID 69302961
N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine
CID 117278576
N-[(6-bromo-3-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389559
5-chloro-4-fluoro-3-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117296925
2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 131211507
3-chloro-2-ethyl-4-fluorophenol
CID 75365718

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine (CID 117284233) is N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine is ONCc1c(F)ccc(F)c1Cl.
What is the InChIKey of N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine?
The InChIKey is QBLDZNHIJLZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c8-7-4(3-11-12)5(9)1-2-6(7)10/h1-2,11-12H,3H2.
What are the key properties of N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine?
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine has a molecular weight of 193.58 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 117284233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).