5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol

C18H18F3NO2 — CID 71844705

IUPAC5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol
SMILESOC1CC(c2cc(F)ccc2F)N(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H18F3NO2/c19-12-1-4-15(5-2-12)24-8-7-22-11-14(23)10-18(22)16-9-13(20)3-6-17(16)21/h1-6,9,14,18,23H,7-8,10-11H2
InChIKeyQBMQHHIZLRYNER-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.29
Rot. Bonds5

About 5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol

5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol (PubChem CID 71844705) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol
PubChem CID71844705
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol
SMILESOC1CC(c2cc(F)ccc2F)N(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H18F3NO2/c19-12-1-4-15(5-2-12)24-8-7-22-11-14(23)10-18(22)16-9-13(20)3-6-17(16)21/h1-6,9,14,18,23H,7-8,10-11H2
InChIKeyQBMQHHIZLRYNER-UHFFFAOYSA-N
XLogP3.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol?
The IUPAC name of 5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol (CID 71844705) is 5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol is OC1CC(c2cc(F)ccc2F)N(CCOc2ccc(F)cc2)C1.
What is the InChIKey of 5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol?
The InChIKey is QBMQHHIZLRYNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-12-1-4-15(5-2-12)24-8-7-22-11-14(23)10-18(22)16-9-13(20)3-6-17(16)21/h1-6,9,14,18,23H,7-8,10-11H2.
What are the key properties of 5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol?
5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol has a molecular weight of 337.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 71844705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).