(3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine

C8H16FN — CID 126648024

IUPAC(3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine
SMILESCCN1C[C@H](F)[C@@H](C)C1C
InChIInChI=1S/C8H16FN/c1-4-10-5-8(9)6(2)7(10)3/h6-8H,4-5H2,1-3H3/t6-,7?,8-/m0/s1
InChIKeyOUZWGSJIOJGUQF-PPSBICQBSA-N
MW145.22 g/mol
LogP1.68
Rot. Bonds1

About (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine

(3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine (PubChem CID 126648024) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name(3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine
PubChem CID126648024
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine
SMILESCCN1C[C@H](F)[C@@H](C)C1C
InChIInChI=1S/C8H16FN/c1-4-10-5-8(9)6(2)7(10)3/h6-8H,4-5H2,1-3H3/t6-,7?,8-/m0/s1
InChIKeyOUZWGSJIOJGUQF-PPSBICQBSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine?
The IUPAC name of (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine (CID 126648024) is (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine.
What is the SMILES notation for (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine?
The canonical SMILES for (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine is CCN1C[C@H](F)[C@@H](C)C1C.
What is the InChIKey of (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine?
The InChIKey is OUZWGSJIOJGUQF-PPSBICQBSA-N. The full InChI is InChI=1S/C8H16FN/c1-4-10-5-8(9)6(2)7(10)3/h6-8H,4-5H2,1-3H3/t6-,7?,8-/m0/s1.
What are the key properties of (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine?
(3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine is sourced from PubChem (CID 126648024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).