(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine

C13H17F2N — CID 142165697

IUPAC(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](c2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2N/c1-9(2)16-6-5-10(8-16)12-4-3-11(14)7-13(12)15/h3-4,7,9-10H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeySTJDUPMGSWDGLI-JTQLQIEISA-N
MW225.28 g/mol
LogP3.16
Rot. Bonds2

About (3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine

(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine (PubChem CID 142165697) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is (3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine
PubChem CID142165697
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](c2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2N/c1-9(2)16-6-5-10(8-16)12-4-3-11(14)7-13(12)15/h3-4,7,9-10H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeySTJDUPMGSWDGLI-JTQLQIEISA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine (CID 142165697) is (3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine is CC(C)N1CC[C@H](c2ccc(F)cc2F)C1.
What is the InChIKey of (3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine?
The InChIKey is STJDUPMGSWDGLI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17F2N/c1-9(2)16-6-5-10(8-16)12-4-3-11(14)7-13(12)15/h3-4,7,9-10H,5-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine?
(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine has a molecular weight of 225.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 142165697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).