2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine

C13H16FNO — CID 117315948

IUPAC2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine
SMILESFc1ccc2c(c1CC1CCCN1)CCO2
InChIInChI=1S/C13H16FNO/c14-12-3-4-13-10(5-7-16-13)11(12)8-9-2-1-6-15-9/h3-4,9,15H,1-2,5-8H2
InChIKeyGDBMYFRKWWVEGH-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.06
Rot. Bonds2

About 2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine

2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine (PubChem CID 117315948) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine
PubChem CID117315948
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine
SMILESFc1ccc2c(c1CC1CCCN1)CCO2
InChIInChI=1S/C13H16FNO/c14-12-3-4-13-10(5-7-16-13)11(12)8-9-2-1-6-15-9/h3-4,9,15H,1-2,5-8H2
InChIKeyGDBMYFRKWWVEGH-UHFFFAOYSA-N
XLogP2.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117342288
8-fluoro-6-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117421556
8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117407341
2-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]pyrrolidine
CID 117432063
6-fluoro-5-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117385518
2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117285919
8-fluoro-6-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117451478
2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
CID 117324200
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 117381311
2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117319529
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
CID 117284369
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine
CID 117417353

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine?
The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine (CID 117315948) is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine is Fc1ccc2c(c1CC1CCCN1)CCO2.
What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine?
The InChIKey is GDBMYFRKWWVEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-3-4-13-10(5-7-16-13)11(12)8-9-2-1-6-15-9/h3-4,9,15H,1-2,5-8H2.
What are the key properties of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine?
2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine has a molecular weight of 221.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine is sourced from PubChem (CID 117315948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).