(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide

C8H10F3NO — CID 155416556

IUPAC(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide
SMILESC=C(/C=C\C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-6(8(9,10)11)4-5-7(13)12(2)3/h4-5H,1H2,2-3H3/b5-4-
InChIKeyJWOXMJPDRPJQFS-PLNGDYQASA-N
MW193.17 g/mol
LogP1.75
Rot. Bonds2

About (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide

(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide (PubChem CID 155416556) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide
PubChem CID155416556
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide
SMILESC=C(/C=C\C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-6(8(9,10)11)4-5-7(13)12(2)3/h4-5H,1H2,2-3H3/b5-4-
InChIKeyJWOXMJPDRPJQFS-PLNGDYQASA-N
XLogP1.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide?
The IUPAC name of (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide (CID 155416556) is (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide?
The canonical SMILES for (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide is C=C(/C=C\C(=O)N(C)C)C(F)(F)F.
What is the InChIKey of (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide?
The InChIKey is JWOXMJPDRPJQFS-PLNGDYQASA-N. The full InChI is InChI=1S/C8H10F3NO/c1-6(8(9,10)11)4-5-7(13)12(2)3/h4-5H,1H2,2-3H3/b5-4-.
What are the key properties of (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide?
(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide has a molecular weight of 193.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dienamide is sourced from PubChem (CID 155416556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).