1-[1-(4-fluorophenyl)ethyl]pyrrolidine

C12H16FN — CID 3954014

IUPAC1-[1-(4-fluorophenyl)ethyl]pyrrolidine
SMILESCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H16FN/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeySDTXBSWCEXDMHT-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.98
Rot. Bonds2

About 1-[1-(4-fluorophenyl)ethyl]pyrrolidine

1-[1-(4-fluorophenyl)ethyl]pyrrolidine (PubChem CID 3954014) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]pyrrolidine
PubChem CID3954014
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name1-[1-(4-fluorophenyl)ethyl]pyrrolidine
SMILESCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H16FN/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeySDTXBSWCEXDMHT-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]pyrrolidine (CID 3954014) is 1-[1-(4-fluorophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]pyrrolidine is CC(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]pyrrolidine?
The InChIKey is SDTXBSWCEXDMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]pyrrolidine?
1-[1-(4-fluorophenyl)ethyl]pyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 3954014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).