2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide

C12H16F3NO — CID 153344451

IUPAC2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide
SMILESC=C(/C=C\C(=C)C(F)(F)F)CNC(=O)C(C)C
InChIInChI=1S/C12H16F3NO/c1-8(2)11(17)16-7-9(3)5-6-10(4)12(13,14)15/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)/b6-5-
InChIKeyQFCGBEKSRCLUKA-WAYWQWQTSA-N
MW247.26 g/mol
LogP2.99
Rot. Bonds5

About 2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide

2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide (PubChem CID 153344451) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide
PubChem CID153344451
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide
SMILESC=C(/C=C\C(=C)C(F)(F)F)CNC(=O)C(C)C
InChIInChI=1S/C12H16F3NO/c1-8(2)11(17)16-7-9(3)5-6-10(4)12(13,14)15/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)/b6-5-
InChIKeyQFCGBEKSRCLUKA-WAYWQWQTSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
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 2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide?
The IUPAC name of 2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide (CID 153344451) is 2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide?
The canonical SMILES for 2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide is C=C(/C=C\C(=C)C(F)(F)F)CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide?
The InChIKey is QFCGBEKSRCLUKA-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-8(2)11(17)16-7-9(3)5-6-10(4)12(13,14)15/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)/b6-5-.
What are the key properties of 2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide?
2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide has a molecular weight of 247.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide is sourced from PubChem (CID 153344451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).