2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine

C12H14FNO2 — CID 117319502

IUPAC2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
SMILESFc1cc(C2CCCN2)cc2c1OCCO2
InChIInChI=1S/C12H14FNO2/c13-9-6-8(10-2-1-3-14-10)7-11-12(9)16-5-4-15-11/h6-7,10,14H,1-5H2
InChIKeyWTGLWQNEYYLSPQ-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.02
Rot. Bonds1

About 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine

2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine (PubChem CID 117319502) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
PubChem CID117319502
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
SMILESFc1cc(C2CCCN2)cc2c1OCCO2
InChIInChI=1S/C12H14FNO2/c13-9-6-8(10-2-1-3-14-10)7-11-12(9)16-5-4-15-11/h6-7,10,14H,1-5H2
InChIKeyWTGLWQNEYYLSPQ-UHFFFAOYSA-N
XLogP2.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(5-fluoro-3,4-dihydro-2H-chromen-7-yl)pyrrolidine
CID 66519323
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519309
7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385570
2-(5-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 116987778
2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117385693
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine
CID 117319500
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117346616
3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid
CID 117322920
5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385564

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine (CID 117319502) is 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine is Fc1cc(C2CCCN2)cc2c1OCCO2.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
The InChIKey is WTGLWQNEYYLSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-9-6-8(10-2-1-3-14-10)7-11-12(9)16-5-4-15-11/h6-7,10,14H,1-5H2.
What are the key properties of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine has a molecular weight of 223.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine is sourced from PubChem (CID 117319502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).