(3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine

C14H17BrFN — CID 169239703

IUPAC(3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine
SMILESFCCCN1CC/C(=C/c2ccc(Br)cc2)C1
InChIInChI=1S/C14H17BrFN/c15-14-4-2-12(3-5-14)10-13-6-9-17(11-13)8-1-7-16/h2-5,10H,1,6-9,11H2/b13-10-
InChIKeyAALNEKIODOMHEV-RAXLEYEMSA-N
MW298.20 g/mol
LogP3.90
Rot. Bonds4

About (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine

(3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine (PubChem CID 169239703) has the molecular formula C14H17BrFN and a molecular weight of 298.20 g/mol. Its IUPAC name is (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine.

Molecular Properties

Compound Name(3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine
PubChem CID169239703
Molecular FormulaC14H17BrFN
Molecular Weight298.20 g/mol
Exact Mass297.05
IUPAC Name(3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine
SMILESFCCCN1CC/C(=C/c2ccc(Br)cc2)C1
InChIInChI=1S/C14H17BrFN/c15-14-4-2-12(3-5-14)10-13-6-9-17(11-13)8-1-7-16/h2-5,10H,1,6-9,11H2/b13-10-
InChIKeyAALNEKIODOMHEV-RAXLEYEMSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)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 (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine?
The IUPAC name of (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine (CID 169239703) is (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine.
What is the SMILES notation for (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine?
The canonical SMILES for (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine is FCCCN1CC/C(=C/c2ccc(Br)cc2)C1.
What is the InChIKey of (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine?
The InChIKey is AALNEKIODOMHEV-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H17BrFN/c15-14-4-2-12(3-5-14)10-13-6-9-17(11-13)8-1-7-16/h2-5,10H,1,6-9,11H2/b13-10-.
What are the key properties of (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine?
(3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine has a molecular weight of 298.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-bromophenyl)methylidene]-1-(3-fluoropropyl)pyrrolidine is sourced from PubChem (CID 169239703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).