5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol

C21H25F2NO2 — CID 22106967

IUPAC5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)CC1CCOc1ccc(F)cc1CCc1ccc(F)cc1
InChIInChI=1S/C21H25F2NO2/c1-24-14-20(25)13-19(24)10-11-26-21-9-8-18(23)12-16(21)5-2-15-3-6-17(22)7-4-15/h3-4,6-9,12,19-20,25H,2,5,10-11,13-14H2,1H3
InChIKeySVGAXBBCNLYJFA-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.58
Rot. Bonds7

About 5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol

5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol (PubChem CID 22106967) has the molecular formula C21H25F2NO2 and a molecular weight of 361.43 g/mol. Its IUPAC name is 5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol
PubChem CID22106967
Molecular FormulaC21H25F2NO2
Molecular Weight361.43 g/mol
Exact Mass361.19
IUPAC Name5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)CC1CCOc1ccc(F)cc1CCc1ccc(F)cc1
InChIInChI=1S/C21H25F2NO2/c1-24-14-20(25)13-19(24)10-11-26-21-9-8-18(23)12-16(21)5-2-15-3-6-17(22)7-4-15/h3-4,6-9,12,19-20,25H,2,5,10-11,13-14H2,1H3
InChIKeySVGAXBBCNLYJFA-UHFFFAOYSA-N
XLogP3.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol (CID 22106967) is 5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol is CN1CC(O)CC1CCOc1ccc(F)cc1CCc1ccc(F)cc1.
What is the InChIKey of 5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol?
The InChIKey is SVGAXBBCNLYJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO2/c1-24-14-20(25)13-19(24)10-11-26-21-9-8-18(23)12-16(21)5-2-15-3-6-17(22)7-4-15/h3-4,6-9,12,19-20,25H,2,5,10-11,13-14H2,1H3.
What are the key properties of 5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol?
5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol has a molecular weight of 361.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 22106967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).