2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine

C15H20FNO2 — CID 117417339

IUPAC2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
SMILESCC(C)(F)c1cc2c(c(C3CCCN3)c1)OCCO2
InChIInChI=1S/C15H20FNO2/c1-15(2,16)10-8-11(12-4-3-5-17-12)14-13(9-10)18-6-7-19-14/h8-9,12,17H,3-7H2,1-2H3
InChIKeyVYNRAEWVZGHBBQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.09
Rot. Bonds2

About 2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine

2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine (PubChem CID 117417339) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine.

Molecular Properties

Compound Name2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
PubChem CID117417339
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
SMILESCC(C)(F)c1cc2c(c(C3CCCN3)c1)OCCO2
InChIInChI=1S/C15H20FNO2/c1-15(2,16)10-8-11(12-4-3-5-17-12)14-13(9-10)18-6-7-19-14/h8-9,12,17H,3-7H2,1-2H3
InChIKeyVYNRAEWVZGHBBQ-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117376371
2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117338806
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine
CID 117396450
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117480070
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117319502
2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117423106
5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385564
(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
CID 66518877
2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117385693
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320
2-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 117381903

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine?
The IUPAC name of 2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine (CID 117417339) is 2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine.
What is the SMILES notation for 2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine?
The canonical SMILES for 2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine is CC(C)(F)c1cc2c(c(C3CCCN3)c1)OCCO2.
What is the InChIKey of 2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine?
The InChIKey is VYNRAEWVZGHBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(2,16)10-8-11(12-4-3-5-17-12)14-13(9-10)18-6-7-19-14/h8-9,12,17H,3-7H2,1-2H3.
What are the key properties of 2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine?
2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine has a molecular weight of 265.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine is sourced from PubChem (CID 117417339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).