2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine

C7H15F2NO — CID 88886754

IUPAC2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine
SMILESCCOC(F)(F)CN(C)CC
InChIInChI=1S/C7H15F2NO/c1-4-10(3)6-7(8,9)11-5-2/h4-6H2,1-3H3
InChIKeyWGBNMULFKUYTLB-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.57
Rot. Bonds5

About 2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine

2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine (PubChem CID 88886754) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine
PubChem CID88886754
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine
SMILESCCOC(F)(F)CN(C)CC
InChIInChI=1S/C7H15F2NO/c1-4-10(3)6-7(8,9)11-5-2/h4-6H2,1-3H3
InChIKeyWGBNMULFKUYTLB-UHFFFAOYSA-N
XLogP1.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine (CID 88886754) is 2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine is CCOC(F)(F)CN(C)CC.
What is the InChIKey of 2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine?
The InChIKey is WGBNMULFKUYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-4-10(3)6-7(8,9)11-5-2/h4-6H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine?
2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine has a molecular weight of 167.20 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 88886754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).