3-[2-(fluoromethyl)phenyl]pyrrolidine

C11H14FN — CID 84657076

IUPAC3-[2-(fluoromethyl)phenyl]pyrrolidine
SMILESFCc1ccccc1C1CCNC1
InChIInChI=1S/C11H14FN/c12-7-9-3-1-2-4-11(9)10-5-6-13-8-10/h1-4,10,13H,5-8H2
InChIKeyORLWGKUPOMZOCV-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.23
Rot. Bonds2

About 3-[2-(fluoromethyl)phenyl]pyrrolidine

3-[2-(fluoromethyl)phenyl]pyrrolidine (PubChem CID 84657076) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-[2-(fluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(fluoromethyl)phenyl]pyrrolidine
PubChem CID84657076
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-[2-(fluoromethyl)phenyl]pyrrolidine
SMILESFCc1ccccc1C1CCNC1
InChIInChI=1S/C11H14FN/c12-7-9-3-1-2-4-11(9)10-5-6-13-8-10/h1-4,10,13H,5-8H2
InChIKeyORLWGKUPOMZOCV-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine
CID 84687079
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402
3-[4-chloro-2-(fluoromethyl)phenyl]piperidine
CID 121450848
2-[2-(fluoromethyl)phenyl]piperidine
CID 84664975
4-(fluoromethyl)-2-pyrrolidin-3-ylphenol
CID 84666184
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
2-(2-piperidin-4-ylphenyl)acetonitrile
CID 117289499
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
3-[2-(oxolan-3-yl)phenyl]pyrrolidine
CID 83836153

Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 3-[2-(fluoromethyl)phenyl]pyrrolidine (CID 84657076) is 3-[2-(fluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[2-(fluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[2-(fluoromethyl)phenyl]pyrrolidine is FCc1ccccc1C1CCNC1.
What is the InChIKey of 3-[2-(fluoromethyl)phenyl]pyrrolidine?
The InChIKey is ORLWGKUPOMZOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c12-7-9-3-1-2-4-11(9)10-5-6-13-8-10/h1-4,10,13H,5-8H2.
What are the key properties of 3-[2-(fluoromethyl)phenyl]pyrrolidine?
3-[2-(fluoromethyl)phenyl]pyrrolidine has a molecular weight of 179.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 84657076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).