N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine

C46H67F17N2O10 — CID 159376269

IUPACN-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine
SMILESC=CCC(CC=C)(CC=C)CN(CC(F)(F)OC(F)(F)COCC)C(=O)COCC(F)(F)OC(C)(F)F.C=CCC(CC=C)(CC=C)CNCC(F)(F)OC(F)(F)COCC.CCOCC(F)(F)OC(F)(F)C(=O)F
InChIInChI=1S/C23H33F8NO5.C17H27F4NO2.C6H7F5O3/c1-6-10-20(11-7-2,12-8-3)14-32(15-21(26,27)37-23(30,31)16-34-9-4)18(33)13-35-17-22(28,29)36-19(5,24)25;1-5-9-15(10-6-2,11-7-3)12-22-13-16(18,19)24-17(20,21)14-23-8-4;1-2-13-3-5(8,9)14-6(10,11)4(7)12/h6-8H,1-3,9-17H2,4-5H3;5-7,22H,1-3,8-14H2,4H3;2-3H2,1H3
InChIKeyLKIVBEZOHXKXHV-UHFFFAOYSA-N
MW1131.01 g/mol
LogP12.26
Rot. Bonds42

About N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine

N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine (PubChem CID 159376269) has the molecular formula C46H67F17N2O10 and a molecular weight of 1131.01 g/mol. Its IUPAC name is N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine
PubChem CID159376269
Molecular FormulaC46H67F17N2O10
Molecular Weight1131.01 g/mol
Exact Mass1130.45
IUPAC NameN-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine
SMILESC=CCC(CC=C)(CC=C)CN(CC(F)(F)OC(F)(F)COCC)C(=O)COCC(F)(F)OC(C)(F)F.C=CCC(CC=C)(CC=C)CNCC(F)(F)OC(F)(F)COCC.CCOCC(F)(F)OC(F)(F)C(=O)F
InChIInChI=1S/C23H33F8NO5.C17H27F4NO2.C6H7F5O3/c1-6-10-20(11-7-2,12-8-3)14-32(15-21(26,27)37-23(30,31)16-34-9-4)18(33)13-35-17-22(28,29)36-19(5,24)25;1-5-9-15(10-6-2,11-7-3)12-22-13-16(18,19)24-17(20,21)14-23-8-4;1-2-13-3-5(8,9)14-6(10,11)4(7)12/h6-8H,1-3,9-17H2,4-5H3;5-7,22H,1-3,8-14H2,4H3;2-3H2,1H3
InChIKeyLKIVBEZOHXKXHV-UHFFFAOYSA-N
XLogP12.26
TPSA123.25 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds42
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001131.01
LogP ≤ 512.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine?
The IUPAC name of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine (CID 159376269) is N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine.
What is the SMILES notation for N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine?
The canonical SMILES for N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine is C=CCC(CC=C)(CC=C)CN(CC(F)(F)OC(F)(F)COCC)C(=O)COCC(F)(F)OC(C)(F)F.C=CCC(CC=C)(CC=C)CNCC(F)(F)OC(F)(F)COCC.CCOCC(F)(F)OC(F)(F)C(=O)F.
What is the InChIKey of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine?
The InChIKey is LKIVBEZOHXKXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F8NO5.C17H27F4NO2.C6H7F5O3/c1-6-10-20(11-7-2,12-8-3)14-32(15-21(26,27)37-23(30,31)16-34-9-4)18(33)13-35-17-22(28,29)36-19(5,24)25;1-5-9-15(10-6-2,11-7-3)12-22-13-16(18,19)24-17(20,21)14-23-8-4;1-2-13-3-5(8,9)14-6(10,11)4(7)12/h6-8H,1-3,9-17H2,4-5H3;5-7,22H,1-3,8-14H2,4H3;2-3H2,1H3.
What are the key properties of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine?
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine has a molecular weight of 1131.01 g/mol, XLogP of 12.26, 42 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-[2-(1,1-difluoroethoxy)-2,2-difluoroethoxy]-N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]acetamide;2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetyl fluoride;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine is sourced from PubChem (CID 159376269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).