2-(difluoromethoxymethyl)-1-ethylpyrrolidine

C8H15F2NO — CID 130225831

IUPAC2-(difluoromethoxymethyl)-1-ethylpyrrolidine
SMILESCCN1CCCC1COC(F)F
InChIInChI=1S/C8H15F2NO/c1-2-11-5-3-4-7(11)6-12-8(9)10/h7-8H,2-6H2,1H3
InChIKeyFVOYEJZOOHQBOX-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.71
Rot. Bonds4

About 2-(difluoromethoxymethyl)-1-ethylpyrrolidine

2-(difluoromethoxymethyl)-1-ethylpyrrolidine (PubChem CID 130225831) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)-1-ethylpyrrolidine
PubChem CID130225831
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-(difluoromethoxymethyl)-1-ethylpyrrolidine
SMILESCCN1CCCC1COC(F)F
InChIInChI=1S/C8H15F2NO/c1-2-11-5-3-4-7(11)6-12-8(9)10/h7-8H,2-6H2,1H3
InChIKeyFVOYEJZOOHQBOX-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)-1-ethylpyrrolidine?
The IUPAC name of 2-(difluoromethoxymethyl)-1-ethylpyrrolidine (CID 130225831) is 2-(difluoromethoxymethyl)-1-ethylpyrrolidine.
What is the SMILES notation for 2-(difluoromethoxymethyl)-1-ethylpyrrolidine?
The canonical SMILES for 2-(difluoromethoxymethyl)-1-ethylpyrrolidine is CCN1CCCC1COC(F)F.
What is the InChIKey of 2-(difluoromethoxymethyl)-1-ethylpyrrolidine?
The InChIKey is FVOYEJZOOHQBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-2-11-5-3-4-7(11)6-12-8(9)10/h7-8H,2-6H2,1H3.
What are the key properties of 2-(difluoromethoxymethyl)-1-ethylpyrrolidine?
2-(difluoromethoxymethyl)-1-ethylpyrrolidine has a molecular weight of 179.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)-1-ethylpyrrolidine is sourced from PubChem (CID 130225831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).