2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine

C22H27F2NO2 — CID 19423830

IUPAC2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOc1ccccc1CCc1cccc(OC(F)F)c1
InChIInChI=1S/C22H27F2NO2/c1-25-14-5-8-19(25)13-15-26-21-10-3-2-7-18(21)12-11-17-6-4-9-20(16-17)27-22(23)24/h2-4,6-7,9-10,16,19,22H,5,8,11-15H2,1H3
InChIKeyIDYPKDTVKYPRRD-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.94
Rot. Bonds9

About 2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine

2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine (PubChem CID 19423830) has the molecular formula C22H27F2NO2 and a molecular weight of 375.46 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine
PubChem CID19423830
Molecular FormulaC22H27F2NO2
Molecular Weight375.46 g/mol
Exact Mass375.20
IUPAC Name2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOc1ccccc1CCc1cccc(OC(F)F)c1
InChIInChI=1S/C22H27F2NO2/c1-25-14-5-8-19(25)13-15-26-21-10-3-2-7-18(21)12-11-17-6-4-9-20(16-17)27-22(23)24/h2-4,6-7,9-10,16,19,22H,5,8,11-15H2,1H3
InChIKeyIDYPKDTVKYPRRD-UHFFFAOYSA-N
XLogP4.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine (CID 19423830) is 2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine is CN1CCCC1CCOc1ccccc1CCc1cccc(OC(F)F)c1.
What is the InChIKey of 2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The InChIKey is IDYPKDTVKYPRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2NO2/c1-25-14-5-8-19(25)13-15-26-21-10-3-2-7-18(21)12-11-17-6-4-9-20(16-17)27-22(23)24/h2-4,6-7,9-10,16,19,22H,5,8,11-15H2,1H3.
What are the key properties of 2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine has a molecular weight of 375.46 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 19423830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).