2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine

C13H16FNO3 — CID 117385693

IUPAC2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
SMILESCOc1c(F)cc2c(c1C1CCCN1)OCCO2
InChIInChI=1S/C13H16FNO3/c1-16-12-8(14)7-10-13(18-6-5-17-10)11(12)9-3-2-4-15-9/h7,9,15H,2-6H2,1H3
InChIKeyWWGLSOFTVNBUJA-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.03
Rot. Bonds2

About 2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine

2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine (PubChem CID 117385693) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine.

Molecular Properties

Compound Name2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
PubChem CID117385693
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
SMILESCOc1c(F)cc2c(c1C1CCCN1)OCCO2
InChIInChI=1S/C13H16FNO3/c1-16-12-8(14)7-10-13(18-6-5-17-10)11(12)9-3-2-4-15-9/h7,9,15H,2-6H2,1H3
InChIKeyWWGLSOFTVNBUJA-UHFFFAOYSA-N
XLogP2.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117385569
2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117456238
7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385570
3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine
CID 117451438
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117319502
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117346616
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117376371
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117403489

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The IUPAC name of 2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine (CID 117385693) is 2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine.
What is the SMILES notation for 2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The canonical SMILES for 2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine is COc1c(F)cc2c(c1C1CCCN1)OCCO2.
What is the InChIKey of 2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The InChIKey is WWGLSOFTVNBUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-16-12-8(14)7-10-13(18-6-5-17-10)11(12)9-3-2-4-15-9/h7,9,15H,2-6H2,1H3.
What are the key properties of 2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine has a molecular weight of 253.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine is sourced from PubChem (CID 117385693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).