N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine

C7H7ClFNO — CID 114453047

IUPACN-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
SMILESONCc1cc(F)cc(Cl)c1
InChIInChI=1S/C7H7ClFNO/c8-6-1-5(4-10-11)2-7(9)3-6/h1-3,10-11H,4H2
InChIKeyWTPBVHQASQHYHG-UHFFFAOYSA-N
MW175.59 g/mol
LogP1.96
Rot. Bonds2

About N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine

N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine (PubChem CID 114453047) has the molecular formula C7H7ClFNO and a molecular weight of 175.59 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
PubChem CID114453047
Molecular FormulaC7H7ClFNO
Molecular Weight175.59 g/mol
Exact Mass175.02
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
SMILESONCc1cc(F)cc(Cl)c1
InChIInChI=1S/C7H7ClFNO/c8-6-1-5(4-10-11)2-7(9)3-6/h1-3,10-11H,4H2
InChIKeyWTPBVHQASQHYHG-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 51.96
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

N-[(3,5-dichlorophenyl)methyl]hydroxylamine
CID 75481736
3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
CID 104938141
3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 114452969
[1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol
CID 114453179
4-[(3-chloro-5-fluorophenyl)methylamino]butanamide
CID 114452625
2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
CID 114452879
N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 114453134
2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402948
1-chloro-3,5-difluorobenzene
CID 159732874
4-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-2-iodoaniline
CID 107632533
N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 104937745
N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 114452910

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine (CID 114453047) is N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine is ONCc1cc(F)cc(Cl)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine?
The InChIKey is WTPBVHQASQHYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO/c8-6-1-5(4-10-11)2-7(9)3-6/h1-3,10-11H,4H2.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine?
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine has a molecular weight of 175.59 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 114453047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).