1-[(3-fluorophenyl)methyl]pyrrolidine

C11H14FN — CID 22197529

IUPAC1-[(3-fluorophenyl)methyl]pyrrolidine
SMILESFc1cccc(CN2CCCC2)c1
InChIInChI=1S/C11H14FN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2
InChIKeyPRKCBGIXZFUCEF-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.42
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]pyrrolidine

1-[(3-fluorophenyl)methyl]pyrrolidine (PubChem CID 22197529) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]pyrrolidine
PubChem CID22197529
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name1-[(3-fluorophenyl)methyl]pyrrolidine
SMILESFc1cccc(CN2CCCC2)c1
InChIInChI=1S/C11H14FN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2
InChIKeyPRKCBGIXZFUCEF-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]pyrrolidine (CID 22197529) is 1-[(3-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]pyrrolidine is Fc1cccc(CN2CCCC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]pyrrolidine?
The InChIKey is PRKCBGIXZFUCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]pyrrolidine?
1-[(3-fluorophenyl)methyl]pyrrolidine has a molecular weight of 179.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 22197529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).