N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide

C10H11F10NO — CID 12686759

IUPACN,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide
SMILESCCN(CC)C(=O)C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F10NO/c1-3-21(4-2)6(22)5(8(13,14)15)7(11,12)9(16,17)10(18,19)20/h5H,3-4H2,1-2H3
InChIKeyGUSDWERHHUHOTK-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.87
Rot. Bonds5

About N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide

N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide (PubChem CID 12686759) has the molecular formula C10H11F10NO and a molecular weight of 351.18 g/mol. Its IUPAC name is N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound NameN,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide
PubChem CID12686759
Molecular FormulaC10H11F10NO
Molecular Weight351.18 g/mol
Exact Mass351.07
IUPAC NameN,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide
SMILESCCN(CC)C(=O)C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F10NO/c1-3-21(4-2)6(22)5(8(13,14)15)7(11,12)9(16,17)10(18,19)20/h5H,3-4H2,1-2H3
InChIKeyGUSDWERHHUHOTK-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide 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 N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide?
The IUPAC name of N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide (CID 12686759) is N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide?
The canonical SMILES for N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide is CCN(CC)C(=O)C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide?
The InChIKey is GUSDWERHHUHOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F10NO/c1-3-21(4-2)6(22)5(8(13,14)15)7(11,12)9(16,17)10(18,19)20/h5H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide?
N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide has a molecular weight of 351.18 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 12686759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).