2-(3-fluoro-4-methoxyphenyl)pyrrolidine

C11H14FNO — CID 62919366

IUPAC2-(3-fluoro-4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2)cc1F
InChIInChI=1S/C11H14FNO/c1-14-11-5-4-8(7-9(11)12)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3
InChIKeyLKGIRHSTUHRWFX-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.26
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)pyrrolidine

2-(3-fluoro-4-methoxyphenyl)pyrrolidine (PubChem CID 62919366) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)pyrrolidine
PubChem CID62919366
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-(3-fluoro-4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2)cc1F
InChIInChI=1S/C11H14FNO/c1-14-11-5-4-8(7-9(11)12)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3
InChIKeyLKGIRHSTUHRWFX-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)pyrrolidine (CID 62919366) is 2-(3-fluoro-4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)pyrrolidine is COc1ccc(C2CCCN2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)pyrrolidine?
The InChIKey is LKGIRHSTUHRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-11-5-4-8(7-9(11)12)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)pyrrolidine?
2-(3-fluoro-4-methoxyphenyl)pyrrolidine has a molecular weight of 195.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 62919366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).