2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine

C13H14FNO — CID 81147541

IUPAC2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine
SMILESCc1c(C2CCCN2)oc2ccc(F)cc12
InChIInChI=1S/C13H14FNO/c1-8-10-7-9(14)4-5-12(10)16-13(8)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3
InChIKeyBFIWVDULIDTRHF-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.30
Rot. Bonds1

About 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine

2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine (PubChem CID 81147541) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine
PubChem CID81147541
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine
SMILESCc1c(C2CCCN2)oc2ccc(F)cc12
InChIInChI=1S/C13H14FNO/c1-8-10-7-9(14)4-5-12(10)16-13(8)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3
InChIKeyBFIWVDULIDTRHF-UHFFFAOYSA-N
XLogP3.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)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

(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
CID 174947937
CID 174947937
(2R)-2-(3-methylfuran-2-yl)pyrrolidine
CID 96733783
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole
CID 84632368
6-fluoro-3-methyl-2-piperidin-2-yl-1H-indole
CID 84627006
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
2-[chloro(cyclohexyl)methyl]-5-fluoro-3-methyl-1-benzofuran
CID 66777694
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine?
The IUPAC name of 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine (CID 81147541) is 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine.
What is the SMILES notation for 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine?
The canonical SMILES for 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine is Cc1c(C2CCCN2)oc2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine?
The InChIKey is BFIWVDULIDTRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-8-10-7-9(14)4-5-12(10)16-13(8)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3.
What are the key properties of 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine?
2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine has a molecular weight of 219.26 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine is sourced from PubChem (CID 81147541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).