2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine

C14H17F2NO2 — CID 166503884

IUPAC2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1c1cccc2c1OC(F)(F)O2
InChIInChI=1S/C14H17F2NO2/c1-9(2)17-8-4-6-11(17)10-5-3-7-12-13(10)19-14(15,16)18-12/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyLJDPYIYQKWYLGX-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.55
Rot. Bonds2

About 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine

2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine (PubChem CID 166503884) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine
PubChem CID166503884
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1c1cccc2c1OC(F)(F)O2
InChIInChI=1S/C14H17F2NO2/c1-9(2)17-8-4-6-11(17)10-5-3-7-12-13(10)19-14(15,16)18-12/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyLJDPYIYQKWYLGX-UHFFFAOYSA-N
XLogP3.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 323438
CID 323438
CID 118282975
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CID 21644910
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CID 10104394
CID 10104394
CID 11745360
CID 11745360
CID 43583247
CID 43583247
CID 20895888
CID 20895888
CID 23276016
CID 23276016
CID 23276799
CID 23276799
CID 46889842
CID 46889842
CID 46889876
CID 46889876
CID 50971456
CID 50971456

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine (CID 166503884) is 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine is CC(C)N1CCCC1c1cccc2c1OC(F)(F)O2.
What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine?
The InChIKey is LJDPYIYQKWYLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-9(2)17-8-4-6-11(17)10-5-3-7-12-13(10)19-14(15,16)18-12/h3,5,7,9,11H,4,6,8H2,1-2H3.
What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine?
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine has a molecular weight of 269.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 166503884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).