3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine

C16H22FNO — CID 69113526

IUPAC3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine
SMILESCCCN1CCC(OCC=Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO/c1-2-10-18-11-9-16(13-18)19-12-3-4-14-5-7-15(17)8-6-14/h3-8,16H,2,9-13H2,1H3
InChIKeyJHZKPFSURVITQZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.34
Rot. Bonds6

About 3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine

3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine (PubChem CID 69113526) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine
PubChem CID69113526
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine
SMILESCCCN1CCC(OCC=Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO/c1-2-10-18-11-9-16(13-18)19-12-3-4-14-5-7-15(17)8-6-14/h3-8,16H,2,9-13H2,1H3
InChIKeyJHZKPFSURVITQZ-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine?
The IUPAC name of 3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine (CID 69113526) is 3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine?
The canonical SMILES for 3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine is CCCN1CCC(OCC=Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine?
The InChIKey is JHZKPFSURVITQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-10-18-11-9-16(13-18)19-12-3-4-14-5-7-15(17)8-6-14/h3-8,16H,2,9-13H2,1H3.
What are the key properties of 3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine?
3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine has a molecular weight of 263.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine is sourced from PubChem (CID 69113526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).