2-(trifluoromethyl)pent-4-enamide

C6H8F3NO — CID 87995660

IUPAC2-(trifluoromethyl)pent-4-enamide
SMILESC=CCC(C(N)=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-3-4(5(10)11)6(7,8)9/h2,4H,1,3H2,(H2,10,11)
InChIKeyHXYITPFELOGQCY-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.23
Rot. Bonds3

About 2-(trifluoromethyl)pent-4-enamide

2-(trifluoromethyl)pent-4-enamide (PubChem CID 87995660) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)pent-4-enamide.

Molecular Properties

Compound Name2-(trifluoromethyl)pent-4-enamide
PubChem CID87995660
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2-(trifluoromethyl)pent-4-enamide
SMILESC=CCC(C(N)=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-3-4(5(10)11)6(7,8)9/h2,4H,1,3H2,(H2,10,11)
InChIKeyHXYITPFELOGQCY-UHFFFAOYSA-N
XLogP1.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.23
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 2-(trifluoromethyl)pent-4-enamide?
The IUPAC name of 2-(trifluoromethyl)pent-4-enamide (CID 87995660) is 2-(trifluoromethyl)pent-4-enamide.
What is the SMILES notation for 2-(trifluoromethyl)pent-4-enamide?
The canonical SMILES for 2-(trifluoromethyl)pent-4-enamide is C=CCC(C(N)=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pent-4-enamide?
The InChIKey is HXYITPFELOGQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-2-3-4(5(10)11)6(7,8)9/h2,4H,1,3H2,(H2,10,11).
What are the key properties of 2-(trifluoromethyl)pent-4-enamide?
2-(trifluoromethyl)pent-4-enamide has a molecular weight of 167.13 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pent-4-enamide is sourced from PubChem (CID 87995660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).