3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide

C8H9F4NO — CID 123691767

IUPAC3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide
SMILESC=CC(F)=C(C)NC(=O)CC(F)(F)F
InChIInChI=1S/C8H9F4NO/c1-3-6(9)5(2)13-7(14)4-8(10,11)12/h3H,1,4H2,2H3,(H,13,14)
InChIKeyGDCMJADDFZUZDJ-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.44
Rot. Bonds3

About 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide

3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide (PubChem CID 123691767) has the molecular formula C8H9F4NO and a molecular weight of 211.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide
PubChem CID123691767
Molecular FormulaC8H9F4NO
Molecular Weight211.16 g/mol
Exact Mass211.06
IUPAC Name3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide
SMILESC=CC(F)=C(C)NC(=O)CC(F)(F)F
InChIInChI=1S/C8H9F4NO/c1-3-6(9)5(2)13-7(14)4-8(10,11)12/h3H,1,4H2,2H3,(H,13,14)
InChIKeyGDCMJADDFZUZDJ-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide (CID 123691767) is 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide is C=CC(F)=C(C)NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide?
The InChIKey is GDCMJADDFZUZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4NO/c1-3-6(9)5(2)13-7(14)4-8(10,11)12/h3H,1,4H2,2H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide?
3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide has a molecular weight of 211.16 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3-fluoropenta-2,4-dien-2-yl)propanamide is sourced from PubChem (CID 123691767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).