(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide

C8H8F3NO3S — CID 154028060

IUPAC(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide
SMILESC=C/C=C/C=C/C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO3S/c1-2-3-4-5-6-7(13)12-16(14,15)8(9,10)11/h2-6H,1H2,(H,12,13)/b4-3+,6-5+
InChIKeyVYBMATNTTYZCLG-VNKDHWASSA-N
MW255.22 g/mol
LogP1.25
Rot. Bonds4

About (2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide

(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide (PubChem CID 154028060) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is (2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide
PubChem CID154028060
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide
SMILESC=C/C=C/C=C/C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO3S/c1-2-3-4-5-6-7(13)12-16(14,15)8(9,10)11/h2-6H,1H2,(H,12,13)/b4-3+,6-5+
InChIKeyVYBMATNTTYZCLG-VNKDHWASSA-N
XLogP1.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide?
The IUPAC name of (2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide (CID 154028060) is (2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide is C=C/C=C/C=C/C(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of (2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide?
The InChIKey is VYBMATNTTYZCLG-VNKDHWASSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c1-2-3-4-5-6-7(13)12-16(14,15)8(9,10)11/h2-6H,1H2,(H,12,13)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide?
(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide has a molecular weight of 255.22 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide is sourced from PubChem (CID 154028060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).