1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine

C14H19FN2 — CID 168512973

IUPAC1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine
SMILESFc1cc(N2CCCC2)ccc1N1CCCC1
InChIInChI=1S/C14H19FN2/c15-13-11-12(16-7-1-2-8-16)5-6-14(13)17-9-3-4-10-17/h5-6,11H,1-4,7-10H2
InChIKeyAPVIOTLULOYHFJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.03
Rot. Bonds2

About 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine

1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine (PubChem CID 168512973) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine
PubChem CID168512973
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine
SMILESFc1cc(N2CCCC2)ccc1N1CCCC1
InChIInChI=1S/C14H19FN2/c15-13-11-12(16-7-1-2-8-16)5-6-14(13)17-9-3-4-10-17/h5-6,11H,1-4,7-10H2
InChIKeyAPVIOTLULOYHFJ-UHFFFAOYSA-N
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine?
The IUPAC name of 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine (CID 168512973) is 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine is Fc1cc(N2CCCC2)ccc1N1CCCC1.
What is the InChIKey of 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine?
The InChIKey is APVIOTLULOYHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-13-11-12(16-7-1-2-8-16)5-6-14(13)17-9-3-4-10-17/h5-6,11H,1-4,7-10H2.
What are the key properties of 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine?
1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine has a molecular weight of 234.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrrolidine is sourced from PubChem (CID 168512973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).