N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine

C14H11Cl2F2NO — CID 2736012

IUPACN,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine
SMILESON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H11Cl2F2NO/c15-11-3-1-5-13(17)9(11)7-19(20)8-10-12(16)4-2-6-14(10)18/h1-6,20H,7-8H2
InChIKeyMIUDTZXWNHEWKG-UHFFFAOYSA-N
MW318.15 g/mol
LogP4.66
Rot. Bonds4

About N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine

N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine (PubChem CID 2736012) has the molecular formula C14H11Cl2F2NO and a molecular weight of 318.15 g/mol. Its IUPAC name is N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine
PubChem CID2736012
Molecular FormulaC14H11Cl2F2NO
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC NameN,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine
SMILESON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H11Cl2F2NO/c15-11-3-1-5-13(17)9(11)7-19(20)8-10-12(16)4-2-6-14(10)18/h1-6,20H,7-8H2
InChIKeyMIUDTZXWNHEWKG-UHFFFAOYSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine (CID 2736012) is N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine is ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine?
The InChIKey is MIUDTZXWNHEWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO/c15-11-3-1-5-13(17)9(11)7-19(20)8-10-12(16)4-2-6-14(10)18/h1-6,20H,7-8H2.
What are the key properties of N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine?
N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine has a molecular weight of 318.15 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-chloro-6-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 2736012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).