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

C13H16FNO — CID 66361100

IUPAC2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
SMILESFc1ccc2c(c1)CC(CC1CCCN1)O2
InChIInChI=1S/C13H16FNO/c14-10-3-4-13-9(6-10)7-12(16-13)8-11-2-1-5-15-11/h3-4,6,11-12,15H,1-2,5,7-8H2
InChIKeyPOTDTSMFRMTCBT-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.27
Rot. Bonds2

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

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine (PubChem CID 66361100) 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-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
PubChem CID66361100
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
SMILESFc1ccc2c(c1)CC(CC1CCCN1)O2
InChIInChI=1S/C13H16FNO/c14-10-3-4-13-9(6-10)7-12(16-13)8-11-2-1-5-15-11/h3-4,6,11-12,15H,1-2,5,7-8H2
InChIKeyPOTDTSMFRMTCBT-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
CID 66362602
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616062
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol
CID 66360881
2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine
CID 105496479
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine
CID 66364918
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 66365064
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 66365889
2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
CID 102870121
(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 81385411
2-(3-bromo-2-methylbutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360498

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine?
The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine (CID 66361100) is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine is Fc1ccc2c(c1)CC(CC1CCCN1)O2.
What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine?
The InChIKey is POTDTSMFRMTCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-10-3-4-13-9(6-10)7-12(16-13)8-11-2-1-5-15-11/h3-4,6,11-12,15H,1-2,5,7-8H2.
What are the key properties of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine?
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine has a molecular weight of 221.27 g/mol, XLogP of 2.27, 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-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 66361100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).