1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine

C14H20FNO2 — CID 168514292

IUPAC1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine
SMILESCOCCCOc1ccc(N2CCCC2)cc1F
InChIInChI=1S/C14H20FNO2/c1-17-9-4-10-18-14-6-5-12(11-13(14)15)16-7-2-3-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyFUZXHLDWKBALAT-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.84
Rot. Bonds6

About 1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine

1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine (PubChem CID 168514292) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine
PubChem CID168514292
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine
SMILESCOCCCOc1ccc(N2CCCC2)cc1F
InChIInChI=1S/C14H20FNO2/c1-17-9-4-10-18-14-6-5-12(11-13(14)15)16-7-2-3-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyFUZXHLDWKBALAT-UHFFFAOYSA-N
XLogP2.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine?
The IUPAC name of 1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine (CID 168514292) is 1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine is COCCCOc1ccc(N2CCCC2)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine?
The InChIKey is FUZXHLDWKBALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-9-4-10-18-14-6-5-12(11-13(14)15)16-7-2-3-8-16/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine?
1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine has a molecular weight of 253.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine is sourced from PubChem (CID 168514292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).