(2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine

C8H15F2N — CID 131114072

IUPAC(2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine
SMILESCCC[C@@H]1NC[C@@H](C)C1(F)F
InChIInChI=1S/C8H15F2N/c1-3-4-7-8(9,10)6(2)5-11-7/h6-7,11H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyFRMIFLXDRLIICS-RQJHMYQMSA-N
MW163.21 g/mol
LogP2.03
Rot. Bonds2

About (2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine

(2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine (PubChem CID 131114072) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine
PubChem CID131114072
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine
SMILESCCC[C@@H]1NC[C@@H](C)C1(F)F
InChIInChI=1S/C8H15F2N/c1-3-4-7-8(9,10)6(2)5-11-7/h6-7,11H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyFRMIFLXDRLIICS-RQJHMYQMSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine?
The IUPAC name of (2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine (CID 131114072) is (2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine.
What is the SMILES notation for (2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine?
The canonical SMILES for (2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine is CCC[C@@H]1NC[C@@H](C)C1(F)F.
What is the InChIKey of (2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine?
The InChIKey is FRMIFLXDRLIICS-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15F2N/c1-3-4-7-8(9,10)6(2)5-11-7/h6-7,11H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine?
(2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine has a molecular weight of 163.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3,3-difluoro-4-methyl-2-propylpyrrolidine is sourced from PubChem (CID 131114072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).