(3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide

C10H13F4NO — CID 89270020

IUPAC(3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide
SMILESCC/C(=C(F)\C=C/C(C)C(N)=O)C(F)(F)F
InChIInChI=1S/C10H13F4NO/c1-3-7(10(12,13)14)8(11)5-4-6(2)9(15)16/h4-6H,3H2,1-2H3,(H2,15,16)/b5-4-,8-7-
InChIKeyQNYLVEUULVYFOU-UTOQUPLUSA-N
MW239.21 g/mol
LogP2.86
Rot. Bonds4

About (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide

(3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide (PubChem CID 89270020) has the molecular formula C10H13F4NO and a molecular weight of 239.21 g/mol. Its IUPAC name is (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide
PubChem CID89270020
Molecular FormulaC10H13F4NO
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name(3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide
SMILESCC/C(=C(F)\C=C/C(C)C(N)=O)C(F)(F)F
InChIInChI=1S/C10H13F4NO/c1-3-7(10(12,13)14)8(11)5-4-6(2)9(15)16/h4-6H,3H2,1-2H3,(H2,15,16)/b5-4-,8-7-
InChIKeyQNYLVEUULVYFOU-UTOQUPLUSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide with MolForge

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Related Compounds

(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
CID 88586585
(2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide
CID 89361955
(4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide
CID 142070688
(3Z,5E)-3-ethenyl-5,8-difluoronona-3,5-dienamide
CID 145356893
(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienamide
CID 145682868
(E)-3-methyl-2-(trifluoromethyl)hex-3-enamide
CID 163494123
4-Fluorocyclohepta-2,4,6-triene-1-carboxamide
CID 167262900
4-Chloro-3,5-bis(trifluoromethyl)cyclohepta-2,4,6-triene-1-carboxamide
CID 169869627
(2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide
CID 143625023
(Z,5S)-5-(trifluoromethyl)hept-3-enamide
CID 154561335
4-(Trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 162551023
(3E,5E)-2-methylocta-3,5,7-trienamide
CID 17917293

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide?
The IUPAC name of (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide (CID 89270020) is (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide is CC/C(=C(F)\C=C/C(C)C(N)=O)C(F)(F)F.
What is the InChIKey of (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide?
The InChIKey is QNYLVEUULVYFOU-UTOQUPLUSA-N. The full InChI is InChI=1S/C10H13F4NO/c1-3-7(10(12,13)14)8(11)5-4-6(2)9(15)16/h4-6H,3H2,1-2H3,(H2,15,16)/b5-4-,8-7-.
What are the key properties of (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide?
(3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide has a molecular weight of 239.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide is sourced from PubChem (CID 89270020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).