N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane

C13H20F3NO — CID 144610104

IUPACN-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane
SMILESC=C(C)/C=C(\C=C(C)C)NC(=O)C(F)(F)F.CC
InChIInChI=1S/C11H14F3NO.C2H6/c1-7(2)5-9(6-8(3)4)15-10(16)11(12,13)14;1-2/h5-6H,1H2,2-4H3,(H,15,16);1-2H3/b9-5+;
InChIKeyFUOKHOCFFRYPAN-SZKNIZGXSA-N
MW263.30 g/mol
LogP4.12
Rot. Bonds3

About N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane

N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane (PubChem CID 144610104) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane.

Molecular Properties

Compound NameN-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane
PubChem CID144610104
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC NameN-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane
SMILESC=C(C)/C=C(\C=C(C)C)NC(=O)C(F)(F)F.CC
InChIInChI=1S/C11H14F3NO.C2H6/c1-7(2)5-9(6-8(3)4)15-10(16)11(12,13)14;1-2/h5-6H,1H2,2-4H3,(H,15,16);1-2H3/b9-5+;
InChIKeyFUOKHOCFFRYPAN-SZKNIZGXSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
CID 54172936
N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 89363295
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517869
4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
CID 121440112
N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
CID 122661471
N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126661691
N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126663639
N-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]acetamide
CID 135220129

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane?
The IUPAC name of N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane (CID 144610104) is N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane.
What is the SMILES notation for N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane?
The canonical SMILES for N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane is C=C(C)/C=C(\C=C(C)C)NC(=O)C(F)(F)F.CC.
What is the InChIKey of N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane?
The InChIKey is FUOKHOCFFRYPAN-SZKNIZGXSA-N. The full InChI is InChI=1S/C11H14F3NO.C2H6/c1-7(2)5-9(6-8(3)4)15-10(16)11(12,13)14;1-2/h5-6H,1H2,2-4H3,(H,15,16);1-2H3/b9-5+;.
What are the key properties of N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane?
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane has a molecular weight of 263.30 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-2,2,2-trifluoroacetamide;ethane is sourced from PubChem (CID 144610104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).