1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine

C15H20FN — CID 155420212

IUPAC1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine
SMILESC=Cc1cc(CCCN2CCCC2)ccc1F
InChIInChI=1S/C15H20FN/c1-2-14-12-13(7-8-15(14)16)6-5-11-17-9-3-4-10-17/h2,7-8,12H,1,3-6,9-11H2
InChIKeyNFXZKIORUFCMNZ-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.50
Rot. Bonds5

About 1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine

1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine (PubChem CID 155420212) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine
PubChem CID155420212
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine
SMILESC=Cc1cc(CCCN2CCCC2)ccc1F
InChIInChI=1S/C15H20FN/c1-2-14-12-13(7-8-15(14)16)6-5-11-17-9-3-4-10-17/h2,7-8,12H,1,3-6,9-11H2
InChIKeyNFXZKIORUFCMNZ-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[2-(4-chlorophenyl)ethyl]pyrrolidine
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1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine
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2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
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6-(3-pyrrolidin-1-ylpropyl)-3H-1,3-benzothiazol-2-one
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CID 82482788

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine?
The IUPAC name of 1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine (CID 155420212) is 1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine is C=Cc1cc(CCCN2CCCC2)ccc1F.
What is the InChIKey of 1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine?
The InChIKey is NFXZKIORUFCMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-2-14-12-13(7-8-15(14)16)6-5-11-17-9-3-4-10-17/h2,7-8,12H,1,3-6,9-11H2.
What are the key properties of 1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine?
1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine has a molecular weight of 233.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine is sourced from PubChem (CID 155420212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).