1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine

C9H11F2NO2 — CID 57164596

IUPAC1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine
SMILESCNC(F)(F)Oc1ccccc1OC
InChIInChI=1S/C9H11F2NO2/c1-12-9(10,11)14-8-6-4-3-5-7(8)13-2/h3-6,12H,1-2H3
InChIKeyPZGXEHRQVZIBLQ-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.84
Rot. Bonds4

About 1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine

1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine (PubChem CID 57164596) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine.

Molecular Properties

Compound Name1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine
PubChem CID57164596
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine
SMILESCNC(F)(F)Oc1ccccc1OC
InChIInChI=1S/C9H11F2NO2/c1-12-9(10,11)14-8-6-4-3-5-7(8)13-2/h3-6,12H,1-2H3
InChIKeyPZGXEHRQVZIBLQ-UHFFFAOYSA-N
XLogP1.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine?
The IUPAC name of 1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine (CID 57164596) is 1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine.
What is the SMILES notation for 1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine?
The canonical SMILES for 1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine is CNC(F)(F)Oc1ccccc1OC.
What is the InChIKey of 1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine?
The InChIKey is PZGXEHRQVZIBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-12-9(10,11)14-8-6-4-3-5-7(8)13-2/h3-6,12H,1-2H3.
What are the key properties of 1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine?
1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine has a molecular weight of 203.19 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine is sourced from PubChem (CID 57164596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).