(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine

C13H17F2N — CID 166802320

IUPAC(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C13H17F2N/c1-9(2)16-7-3-4-13(16)11-8-10(14)5-6-12(11)15/h5-6,8-9,13H,3-4,7H2,1-2H3/t13-/m1/s1
InChIKeyLFGPPBACIKIOPG-CYBMUJFWSA-N
MW225.28 g/mol
LogP3.51
Rot. Bonds2

About (2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine

(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine (PubChem CID 166802320) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is (2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
PubChem CID166802320
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C13H17F2N/c1-9(2)16-7-3-4-13(16)11-8-10(14)5-6-12(11)15/h5-6,8-9,13H,3-4,7H2,1-2H3/t13-/m1/s1
InChIKeyLFGPPBACIKIOPG-CYBMUJFWSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine (CID 166802320) is (2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine is CC(C)N1CCC[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of (2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine?
The InChIKey is LFGPPBACIKIOPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9(2)16-7-3-4-13(16)11-8-10(14)5-6-12(11)15/h5-6,8-9,13H,3-4,7H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine?
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine has a molecular weight of 225.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 166802320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).