3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide

C17H18F3NO — CID 89419793

IUPAC3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide
SMILESC=C/C(=C\C=C/CC(F)(F)F)NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H18F3NO/c1-4-15(7-5-6-10-17(18,19)20)21-16(22)14-9-8-12(2)13(3)11-14/h4-9,11H,1,10H2,2-3H3,(H,21,22)/b6-5-,15-7+
InChIKeyOZEUHNBTOBYSNS-LPWWCAIVSA-N
MW309.33 g/mol
LogP4.61
Rot. Bonds5

About 3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide

3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide (PubChem CID 89419793) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide
PubChem CID89419793
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide
SMILESC=C/C(=C\C=C/CC(F)(F)F)NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H18F3NO/c1-4-15(7-5-6-10-17(18,19)20)21-16(22)14-9-8-12(2)13(3)11-14/h4-9,11H,1,10H2,2-3H3,(H,21,22)/b6-5-,15-7+
InChIKeyOZEUHNBTOBYSNS-LPWWCAIVSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide (CID 89419793) is 3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide is C=C/C(=C\C=C/CC(F)(F)F)NC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide?
The InChIKey is OZEUHNBTOBYSNS-LPWWCAIVSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-4-15(7-5-6-10-17(18,19)20)21-16(22)14-9-8-12(2)13(3)11-14/h4-9,11H,1,10H2,2-3H3,(H,21,22)/b6-5-,15-7+.
What are the key properties of 3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide?
3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide has a molecular weight of 309.33 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-3-yl]benzamide is sourced from PubChem (CID 89419793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).