N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride

C7H9ClFNO — CID 175030018

IUPACN-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.ONC(F)c1ccccc1
InChIInChI=1S/C7H8FNO.ClH/c8-7(9-10)6-4-2-1-3-5-6;/h1-5,7,9-10H;1H
InChIKeyDWNBNDRWAPUKGE-UHFFFAOYSA-N
MW177.61 g/mol
LogP2.06
Rot. Bonds2

About N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride

N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 175030018) has the molecular formula C7H9ClFNO and a molecular weight of 177.61 g/mol. Its IUPAC name is N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride
PubChem CID175030018
Molecular FormulaC7H9ClFNO
Molecular Weight177.61 g/mol
Exact Mass177.04
IUPAC NameN-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.ONC(F)c1ccccc1
InChIInChI=1S/C7H8FNO.ClH/c8-7(9-10)6-4-2-1-3-5-6;/h1-5,7,9-10H;1H
InChIKeyDWNBNDRWAPUKGE-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride (CID 175030018) is N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride is Cl.ONC(F)c1ccccc1.
What is the InChIKey of N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is DWNBNDRWAPUKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO.ClH/c8-7(9-10)6-4-2-1-3-5-6;/h1-5,7,9-10H;1H.
What are the key properties of N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride?
N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 177.61 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 175030018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).