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

C23H33F8NO5 — CID 158420701

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
SMILESC=CCC(CC=C)(CC=C)CN(CC(F)(F)OC(F)(F)COCC)C(=O)COCC(F)(F)OC(C)(F)F
InChIInChI=1S/C23H33F8NO5/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/h6-8H,1-3,9-17H2,4-5H3
InChIKeyWTTPFETYQVFNQN-UHFFFAOYSA-N
MW555.50 g/mol
LogP6.01
Rot. Bonds21

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

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 (PubChem CID 158420701) has the molecular formula C23H33F8NO5 and a molecular weight of 555.50 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.

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
PubChem CID158420701
Molecular FormulaC23H33F8NO5
Molecular Weight555.50 g/mol
Exact Mass555.22
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
SMILESC=CCC(CC=C)(CC=C)CN(CC(F)(F)OC(F)(F)COCC)C(=O)COCC(F)(F)OC(C)(F)F
InChIInChI=1S/C23H33F8NO5/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/h6-8H,1-3,9-17H2,4-5H3
InChIKeyWTTPFETYQVFNQN-UHFFFAOYSA-N
XLogP6.01
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.50
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 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?
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 (CID 158420701) 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.
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?
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 is C=CCC(CC=C)(CC=C)CN(CC(F)(F)OC(F)(F)COCC)C(=O)COCC(F)(F)OC(C)(F)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?
The InChIKey is WTTPFETYQVFNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F8NO5/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/h6-8H,1-3,9-17H2,4-5H3.
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?
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 has a molecular weight of 555.50 g/mol, XLogP of 6.01, 21 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 158420701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).