2-(3-fluorophenyl)-4-methoxypyrrolidine

C11H14FNO — CID 105448990

IUPAC2-(3-fluorophenyl)-4-methoxypyrrolidine
SMILESCOC1CNC(c2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO/c1-14-10-6-11(13-7-10)8-3-2-4-9(12)5-8/h2-5,10-11,13H,6-7H2,1H3
InChIKeyMZGMSNRUKHAHTP-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.88
Rot. Bonds2

About 2-(3-fluorophenyl)-4-methoxypyrrolidine

2-(3-fluorophenyl)-4-methoxypyrrolidine (PubChem CID 105448990) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methoxypyrrolidine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methoxypyrrolidine
PubChem CID105448990
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-(3-fluorophenyl)-4-methoxypyrrolidine
SMILESCOC1CNC(c2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO/c1-14-10-6-11(13-7-10)8-3-2-4-9(12)5-8/h2-5,10-11,13H,6-7H2,1H3
InChIKeyMZGMSNRUKHAHTP-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methoxypyrrolidine?
The IUPAC name of 2-(3-fluorophenyl)-4-methoxypyrrolidine (CID 105448990) is 2-(3-fluorophenyl)-4-methoxypyrrolidine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methoxypyrrolidine?
The canonical SMILES for 2-(3-fluorophenyl)-4-methoxypyrrolidine is COC1CNC(c2cccc(F)c2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-4-methoxypyrrolidine?
The InChIKey is MZGMSNRUKHAHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-10-6-11(13-7-10)8-3-2-4-9(12)5-8/h2-5,10-11,13H,6-7H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-methoxypyrrolidine?
2-(3-fluorophenyl)-4-methoxypyrrolidine has a molecular weight of 195.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methoxypyrrolidine is sourced from PubChem (CID 105448990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).