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

C13H20F3NO — CID 143447833

IUPACethane;N-[(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.CC
InChIInChI=1S/C11H14F3NO.C2H6/c1-4-6-9(5-2)7-8-15(3)10(16)11(12,13)14;1-2/h4-6H,1-2,7-8H2,3H3;1-2H3/b9-6+;
InChIKeyHEHHRYGSOVLCTN-MLBSPLJJSA-N
MW263.30 g/mol
LogP3.72
Rot. Bonds5

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

ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 143447833) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound Nameethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID143447833
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Nameethane;N-[(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.CC
InChIInChI=1S/C11H14F3NO.C2H6/c1-4-6-9(5-2)7-8-15(3)10(16)11(12,13)14;1-2/h4-6H,1-2,7-8H2,3H3;1-2H3/b9-6+;
InChIKeyHEHHRYGSOVLCTN-MLBSPLJJSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.72
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 ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide (CID 143447833) is ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is HEHHRYGSOVLCTN-MLBSPLJJSA-N. The full InChI is InChI=1S/C11H14F3NO.C2H6/c1-4-6-9(5-2)7-8-15(3)10(16)11(12,13)14;1-2/h4-6H,1-2,7-8H2,3H3;1-2H3/b9-6+;.
What are the key properties of ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide?
ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 263.30 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 143447833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).