N-(3,4-difluorophenoxy)-N-methylmethanamine

C8H9F2NO — CID 123222016

IUPACN-(3,4-difluorophenoxy)-N-methylmethanamine
SMILESCN(C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C8H9F2NO/c1-11(2)12-6-3-4-7(9)8(10)5-6/h3-5H,1-2H3
InChIKeyAAWGXPIDSARVNM-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.82
Rot. Bonds2

About N-(3,4-difluorophenoxy)-N-methylmethanamine

N-(3,4-difluorophenoxy)-N-methylmethanamine (PubChem CID 123222016) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is N-(3,4-difluorophenoxy)-N-methylmethanamine.

Molecular Properties

Compound NameN-(3,4-difluorophenoxy)-N-methylmethanamine
PubChem CID123222016
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameN-(3,4-difluorophenoxy)-N-methylmethanamine
SMILESCN(C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C8H9F2NO/c1-11(2)12-6-3-4-7(9)8(10)5-6/h3-5H,1-2H3
InChIKeyAAWGXPIDSARVNM-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
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-difluorophenoxy)-N-methylmethanamine?
The IUPAC name of N-(3,4-difluorophenoxy)-N-methylmethanamine (CID 123222016) is N-(3,4-difluorophenoxy)-N-methylmethanamine.
What is the SMILES notation for N-(3,4-difluorophenoxy)-N-methylmethanamine?
The canonical SMILES for N-(3,4-difluorophenoxy)-N-methylmethanamine is CN(C)Oc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenoxy)-N-methylmethanamine?
The InChIKey is AAWGXPIDSARVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-11(2)12-6-3-4-7(9)8(10)5-6/h3-5H,1-2H3.
What are the key properties of N-(3,4-difluorophenoxy)-N-methylmethanamine?
N-(3,4-difluorophenoxy)-N-methylmethanamine has a molecular weight of 173.16 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenoxy)-N-methylmethanamine is sourced from PubChem (CID 123222016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).