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

C34H52F8N2O5 — CID 161172948

IUPACN-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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)CNC(=O)C(F)(F)OC(F)(F)COCC.C=CCC(CC=C)(CC=C)CNCC(F)(F)OC(F)(F)COCC
InChIInChI=1S/C17H25F4NO3.C17H27F4NO2/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;1-5-9-15(10-6-2,11-7-3)12-22-13-16(18,19)24-17(20,21)14-23-8-4/h5-7H,1-3,8-13H2,4H3,(H,22,23);5-7,22H,1-3,8-14H2,4H3
InChIKeyURKUTGNOWXVXNK-UHFFFAOYSA-N
MW720.78 g/mol
LogP8.59
Rot. Bonds29

About N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine (PubChem CID 161172948) has the molecular formula C34H52F8N2O5 and a molecular weight of 720.78 g/mol. Its IUPAC name is N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine
PubChem CID161172948
Molecular FormulaC34H52F8N2O5
Molecular Weight720.78 g/mol
Exact Mass720.37
IUPAC NameN-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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)CNC(=O)C(F)(F)OC(F)(F)COCC.C=CCC(CC=C)(CC=C)CNCC(F)(F)OC(F)(F)COCC
InChIInChI=1S/C17H25F4NO3.C17H27F4NO2/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;1-5-9-15(10-6-2,11-7-3)12-22-13-16(18,19)24-17(20,21)14-23-8-4/h5-7H,1-3,8-13H2,4H3,(H,22,23);5-7,22H,1-3,8-14H2,4H3
InChIKeyURKUTGNOWXVXNK-UHFFFAOYSA-N
XLogP8.59
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.78
LogP ≤ 58.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine (CID 161172948) is N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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)CNC(=O)C(F)(F)OC(F)(F)COCC.C=CCC(CC=C)(CC=C)CNCC(F)(F)OC(F)(F)COCC.
What is the InChIKey of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine?
The InChIKey is URKUTGNOWXVXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F4NO3.C17H27F4NO2/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;1-5-9-15(10-6-2,11-7-3)12-22-13-16(18,19)24-17(20,21)14-23-8-4/h5-7H,1-3,8-13H2,4H3,(H,22,23);5-7,22H,1-3,8-14H2,4H3.
What are the key properties of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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 720.78 g/mol, XLogP of 8.59, 29 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide;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 161172948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).