N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane

C20H28F9NO2 — CID 159419758

IUPACN-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
SMILESC=CCC(CC=C)(CC=C)CNC(C)=O.CC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F
InChIInChI=1S/C13H21NO.C7H7F9O/c1-5-8-13(9-6-2,10-7-3)11-14-12(4)15;1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16/h5-7H,1-3,8-11H2,4H3,(H,14,15);2-3H2,1H3
InChIKeyLPPQPMSMPVUORS-UHFFFAOYSA-N
MW485.43 g/mol
LogP6.68
Rot. Bonds13

About N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane

N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane (PubChem CID 159419758) has the molecular formula C20H28F9NO2 and a molecular weight of 485.43 g/mol. Its IUPAC name is N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane.

Molecular Properties

Compound NameN-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
PubChem CID159419758
Molecular FormulaC20H28F9NO2
Molecular Weight485.43 g/mol
Exact Mass485.20
IUPAC NameN-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
SMILESC=CCC(CC=C)(CC=C)CNC(C)=O.CC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F
InChIInChI=1S/C13H21NO.C7H7F9O/c1-5-8-13(9-6-2,10-7-3)11-14-12(4)15;1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16/h5-7H,1-3,8-11H2,4H3,(H,14,15);2-3H2,1H3
InChIKeyLPPQPMSMPVUORS-UHFFFAOYSA-N
XLogP6.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.43
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane
CID 157231509
4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol
CID 161288540
dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
CID 157466502
N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide
CID 147135875
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide
CID 157247287
N-(2,2,2-trifluoroethyl)acetamide
CID 23168969
4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide
CID 143599719
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanamide
CID 175724172
N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
2,2,3,3,4,4-hexafluoro-5-(3,3,4,4,5,5-hexafluorohexoxy)-5-oxopentanoic acid
CID 158193375
N-(2-methylpent-4-en-2-yl)acetamide
CID 54506762
3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane
CID 161229551

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane?
The IUPAC name of N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane (CID 159419758) is N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane.
What is the SMILES notation for N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane?
The canonical SMILES for N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane is C=CCC(CC=C)(CC=C)CNC(C)=O.CC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F.
What is the InChIKey of N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane?
The InChIKey is LPPQPMSMPVUORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C7H7F9O/c1-5-8-13(9-6-2,10-7-3)11-14-12(4)15;1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16/h5-7H,1-3,8-11H2,4H3,(H,14,15);2-3H2,1H3.
What are the key properties of N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane?
N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane has a molecular weight of 485.43 g/mol, XLogP of 6.68, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane is sourced from PubChem (CID 159419758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).