(2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine

C11H16FN — CID 138701382

IUPAC(2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine
SMILESC=C(/C=C\C=C/C)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C11H16FN/c1-3-4-5-6-9(2)11-7-10(12)8-13-11/h3-6,10-11,13H,2,7-8H2,1H3/b4-3-,6-5-/t10-,11+/m0/s1
InChIKeyMZRYLTYBGBMOGV-JXYSBEDYSA-N
MW181.25 g/mol
LogP2.37
Rot. Bonds3

About (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine

(2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine (PubChem CID 138701382) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine
PubChem CID138701382
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine
SMILESC=C(/C=C\C=C/C)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C11H16FN/c1-3-4-5-6-9(2)11-7-10(12)8-13-11/h3-6,10-11,13H,2,7-8H2,1H3/b4-3-,6-5-/t10-,11+/m0/s1
InChIKeyMZRYLTYBGBMOGV-JXYSBEDYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]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 (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine?
The IUPAC name of (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine (CID 138701382) is (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine.
What is the SMILES notation for (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine?
The canonical SMILES for (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine is C=C(/C=C\C=C/C)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine?
The InChIKey is MZRYLTYBGBMOGV-JXYSBEDYSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-4-5-6-9(2)11-7-10(12)8-13-11/h3-6,10-11,13H,2,7-8H2,1H3/b4-3-,6-5-/t10-,11+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine?
(2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine has a molecular weight of 181.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidine is sourced from PubChem (CID 138701382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).