2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine

C12H14FNO2 — CID 117319529

IUPAC2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
SMILESFc1cc2c(cc1CC1CCCN1)OCO2
InChIInChI=1S/C12H14FNO2/c13-10-6-12-11(15-7-16-12)5-8(10)4-9-2-1-3-14-9/h5-6,9,14H,1-4,7H2
InChIKeyCYJREKPQBUJKHS-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.85
Rot. Bonds2

About 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine

2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine (PubChem CID 117319529) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
PubChem CID117319529
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
SMILESFc1cc2c(cc1CC1CCCN1)OCO2
InChIInChI=1S/C12H14FNO2/c13-10-6-12-11(15-7-16-12)5-8(10)4-9-2-1-3-14-9/h5-6,9,14H,1-4,7H2
InChIKeyCYJREKPQBUJKHS-UHFFFAOYSA-N
XLogP1.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117397554
4-fluoro-6-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-ol
CID 117385663
2-[(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 117497131
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117497267
2-[(2-fluoro-4-methyl-5-methylsulfanylphenyl)methyl]pyrrolidine
CID 117351620
2-[(4-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117351934
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-[[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]pyrrolidine
CID 117455379
2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
CID 117461292
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 117381311
4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
CID 117118279
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine?
The IUPAC name of 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine (CID 117319529) is 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine is Fc1cc2c(cc1CC1CCCN1)OCO2.
What is the InChIKey of 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine?
The InChIKey is CYJREKPQBUJKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-6-12-11(15-7-16-12)5-8(10)4-9-2-1-3-14-9/h5-6,9,14H,1-4,7H2.
What are the key properties of 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine?
2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine has a molecular weight of 223.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine is sourced from PubChem (CID 117319529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).