acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid

C47H69F4N3O4 — CID 177032276

About acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid

acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid (PubChem CID 177032276) has the molecular formula C47H69F4N3O4 and a molecular weight of 816.08 g/mol. Its IUPAC name is acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid.

Molecular Properties

• Compound Name: acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid
• PubChem CID: 177032276
• Molecular Formula: C47H69F4N3O4
• Molecular Weight: 816.08 g/mol
• Exact Mass: 815.52
• IUPAC Name: acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid
• SMILES: C#C.C/C=C(/Cc1cc(OC)c(-c2cccc3c(CCC)cccc23)c(OC)c1)N(C)CC.C=C(NCC)C1(C(C)(F)F)CCN(CC(C)(F)F)CC1.CC.O=CO
• InChI: InChI=1S/C28H35NO2.C14H24F4N2.C2H6.C2H2.CH2O2/c1-7-12-21-13-10-15-24-23(21)14-11-16-25(24)28-26(30-5)18-20(19-27(28)31-6)17-22(8-2)29(4)9-3;1-5-19-11(2)14(13(4,17)18)6-8-20(9-7-14)10-12(3,15)16;2*1-2;2-1-3/h8,10-11,13-16,18-19H,7,9,12,17H2,1-6H3;19H,2,5-10H2,1,3-4H3;1-2H3;1-2H;1H,(H,2,3)/b22-8-
• InChIKey: BVPGEYDOIIADAO-BYEXQBBJSA-N
• XLogP: 11.35
• TPSA: 74.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.08
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid?

The IUPAC name of acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid (CID 177032276) is acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid.

What is the SMILES notation for acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid?

The canonical SMILES for acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid is C#C.C/C=C(/Cc1cc(OC)c(-c2cccc3c(CCC)cccc23)c(OC)c1)N(C)CC.C=C(NCC)C1(C(C)(F)F)CCN(CC(C)(F)F)CC1.CC.O=CO.

What is the InChIKey of acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid?

The InChIKey is BVPGEYDOIIADAO-BYEXQBBJSA-N. The full InChI is InChI=1S/C28H35NO2.C14H24F4N2.C2H6.C2H2.CH2O2/c1-7-12-21-13-10-15-24-23(21)14-11-16-25(24)28-26(30-5)18-20(19-27(28)31-6)17-22(8-2)29(4)9-3;1-5-19-11(2)14(13(4,17)18)6-8-20(9-7-14)10-12(3,15)16;2*1-2;2-1-3/h8,10-11,13-16,18-19H,7,9,12,17H2,1-6H3;19H,2,5-10H2,1,3-4H3;1-2H3;1-2H;1H,(H,2,3)/b22-8-;;;;.

What are the key properties of acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid?

acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid has a molecular weight of 816.08 g/mol, XLogP of 11.35, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine;(Z)-1-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]-N-ethyl-N-methylbut-2-en-2-amine;ethane;formic acid is sourced from PubChem (CID 177032276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).