2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine

C8H15F2NO — CID 67405065

IUPAC2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOC(F)F
InChIInChI=1S/C8H15F2NO/c1-11-5-2-3-7(11)4-6-12-8(9)10/h7-8H,2-6H2,1H3
InChIKeyVTYAPLQOZMREQX-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.71
Rot. Bonds4

About 2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine

2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine (PubChem CID 67405065) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine
PubChem CID67405065
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOC(F)F
InChIInChI=1S/C8H15F2NO/c1-11-5-2-3-7(11)4-6-12-8(9)10/h7-8H,2-6H2,1H3
InChIKeyVTYAPLQOZMREQX-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-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine (CID 67405065) is 2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine is CN1CCCC1CCOC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine?
The InChIKey is VTYAPLQOZMREQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-5-2-3-7(11)4-6-12-8(9)10/h7-8H,2-6H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine?
2-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine 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-[2-(difluoromethoxy)ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 67405065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).