(3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine

C13H17F2NO — CID 71041234

IUPAC(3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CC[C@H](c2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2NO/c1-17-7-6-16-5-4-10(9-16)12-3-2-11(14)8-13(12)15/h2-3,8,10H,4-7,9H2,1H3/t10-/m0/s1
InChIKeyYRLJULLNSRJRAQ-JTQLQIEISA-N
MW241.28 g/mol
LogP2.40
Rot. Bonds4

About (3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine

(3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine (PubChem CID 71041234) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is (3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
PubChem CID71041234
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name(3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CC[C@H](c2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2NO/c1-17-7-6-16-5-4-10(9-16)12-3-2-11(14)8-13(12)15/h2-3,8,10H,4-7,9H2,1H3/t10-/m0/s1
InChIKeyYRLJULLNSRJRAQ-JTQLQIEISA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The IUPAC name of (3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine (CID 71041234) is (3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The canonical SMILES for (3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine is COCCN1CC[C@H](c2ccc(F)cc2F)C1.
What is the InChIKey of (3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The InChIKey is YRLJULLNSRJRAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-7-6-16-5-4-10(9-16)12-3-2-11(14)8-13(12)15/h2-3,8,10H,4-7,9H2,1H3/t10-/m0/s1.
What are the key properties of (3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
(3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine has a molecular weight of 241.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine is sourced from PubChem (CID 71041234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).