N-[(3,4-difluorophenyl)methoxy]methanamine

C8H9F2NO — CID 89230705

IUPACN-[(3,4-difluorophenyl)methoxy]methanamine
SMILESCNOCc1ccc(F)c(F)c1
InChIInChI=1S/C8H9F2NO/c1-11-12-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3
InChIKeyYAYPYKVGZBRXJQ-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.62
Rot. Bonds3

About N-[(3,4-difluorophenyl)methoxy]methanamine

N-[(3,4-difluorophenyl)methoxy]methanamine (PubChem CID 89230705) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methoxy]methanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methoxy]methanamine
PubChem CID89230705
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameN-[(3,4-difluorophenyl)methoxy]methanamine
SMILESCNOCc1ccc(F)c(F)c1
InChIInChI=1S/C8H9F2NO/c1-11-12-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3
InChIKeyYAYPYKVGZBRXJQ-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.62
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-[(3,4-difluorophenyl)methoxy]methanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methoxy]methanamine (CID 89230705) is N-[(3,4-difluorophenyl)methoxy]methanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methoxy]methanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methoxy]methanamine is CNOCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methoxy]methanamine?
The InChIKey is YAYPYKVGZBRXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-11-12-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methoxy]methanamine?
N-[(3,4-difluorophenyl)methoxy]methanamine has a molecular weight of 173.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methoxy]methanamine is sourced from PubChem (CID 89230705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).