2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine

C15H20FN — CID 145138586

IUPAC2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine
SMILESC=CCc1cc(F)ccc1C(C)C1CCCN1
InChIInChI=1S/C15H20FN/c1-3-5-12-10-13(16)7-8-14(12)11(2)15-6-4-9-17-15/h3,7-8,10-11,15,17H,1,4-6,9H2,2H3
InChIKeyWOOOFDAKRYEIDJ-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.41
Rot. Bonds4

About 2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine

2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine (PubChem CID 145138586) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine
PubChem CID145138586
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine
SMILESC=CCc1cc(F)ccc1C(C)C1CCCN1
InChIInChI=1S/C15H20FN/c1-3-5-12-10-13(16)7-8-14(12)11(2)15-6-4-9-17-15/h3,7-8,10-11,15,17H,1,4-6,9H2,2H3
InChIKeyWOOOFDAKRYEIDJ-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine
CID 83911335
2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
CID 83911133
2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640367
2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine
CID 173158939
2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine
CID 174655929
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
1-(2,4-difluorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622772
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466022
2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine
CID 83987551
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82286973

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine?
The IUPAC name of 2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine (CID 145138586) is 2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine is C=CCc1cc(F)ccc1C(C)C1CCCN1.
What is the InChIKey of 2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine?
The InChIKey is WOOOFDAKRYEIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-3-5-12-10-13(16)7-8-14(12)11(2)15-6-4-9-17-15/h3,7-8,10-11,15,17H,1,4-6,9H2,2H3.
What are the key properties of 2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine?
2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine has a molecular weight of 233.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 145138586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).