3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide

C14H23F6NO — CID 71672493

IUPAC3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide
SMILESCCCCCN(CCCCC)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H23F6NO/c1-3-5-7-9-21(10-8-6-4-2)12(22)11(13(15,16)17)14(18,19)20/h11H,3-10H2,1-2H3
InChIKeyZEBAQTJBQHFXOU-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.94
Rot. Bonds9

About 3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide (PubChem CID 71672493) has the molecular formula C14H23F6NO and a molecular weight of 335.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide
PubChem CID71672493
Molecular FormulaC14H23F6NO
Molecular Weight335.33 g/mol
Exact Mass335.17
IUPAC Name3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide
SMILESCCCCCN(CCCCC)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H23F6NO/c1-3-5-7-9-21(10-8-6-4-2)12(22)11(13(15,16)17)14(18,19)20/h11H,3-10H2,1-2H3
InChIKeyZEBAQTJBQHFXOU-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)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,N-dipentyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide (CID 71672493) is 3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide is CCCCCN(CCCCC)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide?
The InChIKey is ZEBAQTJBQHFXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F6NO/c1-3-5-7-9-21(10-8-6-4-2)12(22)11(13(15,16)17)14(18,19)20/h11H,3-10H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide has a molecular weight of 335.33 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-dipentyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).