(2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine

C8H16FN — CID 178101495

IUPAC(2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine
SMILESCC[C@@H]1C[C@H](CF)CN1C
InChIInChI=1S/C8H16FN/c1-3-8-4-7(5-9)6-10(8)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyXORFNBGFIZAAPB-HTQZYQBOSA-N
MW145.22 g/mol
LogP1.69
Rot. Bonds2

About (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine

(2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine (PubChem CID 178101495) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine
PubChem CID178101495
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine
SMILESCC[C@@H]1C[C@H](CF)CN1C
InChIInChI=1S/C8H16FN/c1-3-8-4-7(5-9)6-10(8)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyXORFNBGFIZAAPB-HTQZYQBOSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine 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 (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine?
The IUPAC name of (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine (CID 178101495) is (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine?
The canonical SMILES for (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine is CC[C@@H]1C[C@H](CF)CN1C.
What is the InChIKey of (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine?
The InChIKey is XORFNBGFIZAAPB-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-8-4-7(5-9)6-10(8)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine?
(2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-ethyl-4-(fluoromethyl)-1-methylpyrrolidine is sourced from PubChem (CID 178101495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).