5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

C11H10F3NO2 — CID 142796155

IUPAC5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESC=CC1(C=O)C=CC=C(C(N)=O)C1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-2-10(6-16)5-3-4-7(9(15)17)8(10)11(12,13)14/h2-6,8H,1H2,(H2,15,17)
InChIKeyIYJACYJTMGZDNG-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.52
Rot. Bonds3

About 5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 142796155) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID142796155
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESC=CC1(C=O)C=CC=C(C(N)=O)C1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-2-10(6-16)5-3-4-7(9(15)17)8(10)11(12,13)14/h2-6,8H,1H2,(H2,15,17)
InChIKeyIYJACYJTMGZDNG-UHFFFAOYSA-N
XLogP1.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (CID 142796155) is 5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is C=CC1(C=O)C=CC=C(C(N)=O)C1C(F)(F)F.
What is the InChIKey of 5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is IYJACYJTMGZDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-2-10(6-16)5-3-4-7(9(15)17)8(10)11(12,13)14/h2-6,8H,1H2,(H2,15,17).
What are the key properties of 5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 245.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-formyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142796155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).