N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide

C11H14F3NO — CID 143447834

IUPACN-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide
SMILESC=C/C=C(\C=C)CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-4-6-9(5-2)7-8-15(3)10(16)11(12,13)14/h4-6H,1-2,7-8H2,3H3/b9-6+
InChIKeyOUDDXRWVBUTIRU-RMKNXTFCSA-N
MW233.23 g/mol
LogP2.70
Rot. Bonds5

About N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide

N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 143447834) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID143447834
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide
SMILESC=C/C=C(\C=C)CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-4-6-9(5-2)7-8-15(3)10(16)11(12,13)14/h4-6H,1-2,7-8H2,3H3/b9-6+
InChIKeyOUDDXRWVBUTIRU-RMKNXTFCSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
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 N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide (CID 143447834) is N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide is C=C/C=C(\C=C)CCN(C)C(=O)C(F)(F)F.
What is the InChIKey of N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is OUDDXRWVBUTIRU-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-4-6-9(5-2)7-8-15(3)10(16)11(12,13)14/h4-6H,1-2,7-8H2,3H3/b9-6+.
What are the key properties of N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 233.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 143447834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).