(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine

C11H20FN — CID 144607829

IUPAC(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine
SMILESC/C=C(\CC)CN1CCC[C@H]1CF
InChIInChI=1S/C11H20FN/c1-3-10(4-2)9-13-7-5-6-11(13)8-12/h3,11H,4-9H2,1-2H3/b10-3+/t11-/m0/s1
InChIKeyDZNLOCLZPGBREW-LFJXOHPOSA-N
MW185.29 g/mol
LogP2.78
Rot. Bonds4

About (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine

(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine (PubChem CID 144607829) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine
PubChem CID144607829
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine
SMILESC/C=C(\CC)CN1CCC[C@H]1CF
InChIInChI=1S/C11H20FN/c1-3-10(4-2)9-13-7-5-6-11(13)8-12/h3,11H,4-9H2,1-2H3/b10-3+/t11-/m0/s1
InChIKeyDZNLOCLZPGBREW-LFJXOHPOSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine 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 (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine?
The IUPAC name of (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine (CID 144607829) is (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine?
The canonical SMILES for (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine is C/C=C(\CC)CN1CCC[C@H]1CF.
What is the InChIKey of (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine?
The InChIKey is DZNLOCLZPGBREW-LFJXOHPOSA-N. The full InChI is InChI=1S/C11H20FN/c1-3-10(4-2)9-13-7-5-6-11(13)8-12/h3,11H,4-9H2,1-2H3/b10-3+/t11-/m0/s1.
What are the key properties of (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine?
(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine has a molecular weight of 185.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine is sourced from PubChem (CID 144607829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).