2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine

C27H28F4N2O3S — CID 144811367

About 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine

2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine (PubChem CID 144811367) has the molecular formula C27H28F4N2O3S and a molecular weight of 536.59 g/mol. Its IUPAC name is 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine.

Molecular Properties

• Compound Name: 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine
• PubChem CID: 144811367
• Molecular Formula: C27H28F4N2O3S
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.18
• IUPAC Name: 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine
• SMILES: Fc1cc(CCCN2CCCC2)cc2c1OCCO2.NC(=O)C(F)(F)c1ccc(-c2ccc(F)cc2)s1
• InChI: InChI=1S/C15H20FNO2.C12H8F3NOS/c16-13-10-12(4-3-7-17-5-1-2-6-17)11-14-15(13)19-9-8-18-14;13-8-3-1-7(2-4-8)9-5-6-10(18-9)12(14,15)11(16)17/h10-11H,1-9H2;1-6H,(H2,16,17)
• InChIKey: OGUXKGUTDKYNJZ-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 64.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine?

The IUPAC name of 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine (CID 144811367) is 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine.

What is the SMILES notation for 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine?

The canonical SMILES for 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine is Fc1cc(CCCN2CCCC2)cc2c1OCCO2.NC(=O)C(F)(F)c1ccc(-c2ccc(F)cc2)s1.

What is the InChIKey of 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine?

The InChIKey is OGUXKGUTDKYNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2.C12H8F3NOS/c16-13-10-12(4-3-7-17-5-1-2-6-17)11-14-15(13)19-9-8-18-14;13-8-3-1-7(2-4-8)9-5-6-10(18-9)12(14,15)11(16)17/h10-11H,1-9H2;1-6H,(H2,16,17).

What are the key properties of 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine?

2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine has a molecular weight of 536.59 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine is sourced from PubChem (CID 144811367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).