acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide

C28H31F7N2O5S — CID 144805146

About acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide

acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide (PubChem CID 144805146) has the molecular formula C28H31F7N2O5S and a molecular weight of 640.62 g/mol. Its IUPAC name is acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide
• PubChem CID: 144805146
• Molecular Formula: C28H31F7N2O5S
• Molecular Weight: 640.62 g/mol
• Exact Mass: 640.18
• IUPAC Name: acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide
• SMILES: C#C.CC(=O)NCC1(C)CCCO1.O=S(=O)(c1ccc(F)cc1)N1CCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
• InChI: InChI=1S/C18H14F7NO3S.C8H15NO2.C2H2/c19-13-4-6-14(7-5-13)30(28,29)26-9-1-2-11-10-12(3-8-15(11)26)16(27,17(20,21)22)18(23,24)25;1-7(10)9-6-8(2)4-3-5-11-8;1-2/h3-8,10,27H,1-2,9H2;3-6H2,1-2H3,(H,9,10);1-2H
• InChIKey: MNFWLSJSYYNCLV-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 95.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.62
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide?

The IUPAC name of acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide (CID 144805146) is acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide.

What is the SMILES notation for acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide?

The canonical SMILES for acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide is C#C.CC(=O)NCC1(C)CCCO1.O=S(=O)(c1ccc(F)cc1)N1CCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21.

What is the InChIKey of acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide?

The InChIKey is MNFWLSJSYYNCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F7NO3S.C8H15NO2.C2H2/c19-13-4-6-14(7-5-13)30(28,29)26-9-1-2-11-10-12(3-8-15(11)26)16(27,17(20,21)22)18(23,24)25;1-7(10)9-6-8(2)4-3-5-11-8;1-2/h3-8,10,27H,1-2,9H2;3-6H2,1-2H3,(H,9,10);1-2H.

What are the key properties of acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide?

acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide has a molecular weight of 640.62 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide is sourced from PubChem (CID 144805146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).