2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate

C35H54F8N2O7 — CID 158266850

IUPAC2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate
SMILESC=CCC(CC=C)(CC=C)CNC(=O)C(F)(F)OC(F)(F)COCC.C=CCC(CN)(CC=C)CC=C.CCOCC(F)(F)OC(F)(F)C(=O)OC
InChIInChI=1S/C17H25F4NO3.C11H19N.C7H10F4O4/c1-5-9-15(10-6-2,11-7-3)12-22-14(23)17(20,21)25-16(18,19)13-24-8-4;1-4-7-11(10-12,8-5-2)9-6-3;1-3-14-4-6(8,9)15-7(10,11)5(12)13-2/h5-7H,1-3,8-13H2,4H3,(H,22,23);4-6H,1-3,7-10,12H2;3-4H2,1-2H3
InChIKeyGINZVQJMEMDDQI-UHFFFAOYSA-N
MW766.81 g/mol
LogP8.11
Rot. Bonds27

About 2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate

2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate (PubChem CID 158266850) has the molecular formula C35H54F8N2O7 and a molecular weight of 766.81 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate
PubChem CID158266850
Molecular FormulaC35H54F8N2O7
Molecular Weight766.81 g/mol
Exact Mass766.38
IUPAC Name2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate
SMILESC=CCC(CC=C)(CC=C)CNC(=O)C(F)(F)OC(F)(F)COCC.C=CCC(CN)(CC=C)CC=C.CCOCC(F)(F)OC(F)(F)C(=O)OC
InChIInChI=1S/C17H25F4NO3.C11H19N.C7H10F4O4/c1-5-9-15(10-6-2,11-7-3)12-22-14(23)17(20,21)25-16(18,19)13-24-8-4;1-4-7-11(10-12,8-5-2)9-6-3;1-3-14-4-6(8,9)15-7(10,11)5(12)13-2/h5-7H,1-3,8-13H2,4H3,(H,22,23);4-6H,1-3,7-10,12H2;3-4H2,1-2H3
InChIKeyGINZVQJMEMDDQI-UHFFFAOYSA-N
XLogP8.11
TPSA118.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.81
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate?
The IUPAC name of 2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate (CID 158266850) is 2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate.
What is the SMILES notation for 2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate?
The canonical SMILES for 2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate is C=CCC(CC=C)(CC=C)CNC(=O)C(F)(F)OC(F)(F)COCC.C=CCC(CN)(CC=C)CC=C.CCOCC(F)(F)OC(F)(F)C(=O)OC.
What is the InChIKey of 2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate?
The InChIKey is GINZVQJMEMDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F4NO3.C11H19N.C7H10F4O4/c1-5-9-15(10-6-2,11-7-3)12-22-14(23)17(20,21)25-16(18,19)13-24-8-4;1-4-7-11(10-12,8-5-2)9-6-3;1-3-14-4-6(8,9)15-7(10,11)5(12)13-2/h5-7H,1-3,8-13H2,4H3,(H,22,23);4-6H,1-3,7-10,12H2;3-4H2,1-2H3.
What are the key properties of 2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate?
2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate has a molecular weight of 766.81 g/mol, XLogP of 8.11, 27 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)pent-4-en-1-amine;N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;methyl 2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetate is sourced from PubChem (CID 158266850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).