(Z,5S)-5-(trifluoromethyl)hept-3-enamide

C8H12F3NO — CID 154561335

IUPAC(Z,5S)-5-(trifluoromethyl)hept-3-enamide
SMILESCC[C@@H](/C=C\CC(N)=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-2-6(8(9,10)11)4-3-5-7(12)13/h3-4,6H,2,5H2,1H3,(H2,12,13)/b4-3-/t6-/m0/s1
InChIKeyWJCDCLYNZPRRJH-SYDCGGLASA-N
MW195.18 g/mol
LogP2.01
Rot. Bonds4

About (Z,5S)-5-(trifluoromethyl)hept-3-enamide

(Z,5S)-5-(trifluoromethyl)hept-3-enamide (PubChem CID 154561335) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (Z,5S)-5-(trifluoromethyl)hept-3-enamide.

Molecular Properties

Compound Name(Z,5S)-5-(trifluoromethyl)hept-3-enamide
PubChem CID154561335
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(Z,5S)-5-(trifluoromethyl)hept-3-enamide
SMILESCC[C@@H](/C=C\CC(N)=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-2-6(8(9,10)11)4-3-5-7(12)13/h3-4,6H,2,5H2,1H3,(H2,12,13)/b4-3-/t6-/m0/s1
InChIKeyWJCDCLYNZPRRJH-SYDCGGLASA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,5S)-5-(trifluoromethyl)hept-3-enamide?
The IUPAC name of (Z,5S)-5-(trifluoromethyl)hept-3-enamide (CID 154561335) is (Z,5S)-5-(trifluoromethyl)hept-3-enamide.
What is the SMILES notation for (Z,5S)-5-(trifluoromethyl)hept-3-enamide?
The canonical SMILES for (Z,5S)-5-(trifluoromethyl)hept-3-enamide is CC[C@@H](/C=C\CC(N)=O)C(F)(F)F.
What is the InChIKey of (Z,5S)-5-(trifluoromethyl)hept-3-enamide?
The InChIKey is WJCDCLYNZPRRJH-SYDCGGLASA-N. The full InChI is InChI=1S/C8H12F3NO/c1-2-6(8(9,10)11)4-3-5-7(12)13/h3-4,6H,2,5H2,1H3,(H2,12,13)/b4-3-/t6-/m0/s1.
What are the key properties of (Z,5S)-5-(trifluoromethyl)hept-3-enamide?
(Z,5S)-5-(trifluoromethyl)hept-3-enamide has a molecular weight of 195.18 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-5-(trifluoromethyl)hept-3-enamide is sourced from PubChem (CID 154561335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).