2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide

C15H26F5NO — CID 533201

IUPAC2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H26F5NO/c1-3-5-7-9-11-21(12-10-8-6-4-2)13(22)14(16,17)15(18,19)20/h3-12H2,1-2H3
InChIKeyVZKAXEAQMWMMLH-UHFFFAOYSA-N
MW331.37 g/mol
LogP5.17
Rot. Bonds11

About 2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide

2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide (PubChem CID 533201) has the molecular formula C15H26F5NO and a molecular weight of 331.37 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide
PubChem CID533201
Molecular FormulaC15H26F5NO
Molecular Weight331.37 g/mol
Exact Mass331.19
IUPAC Name2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H26F5NO/c1-3-5-7-9-11-21(12-10-8-6-4-2)13(22)14(16,17)15(18,19)20/h3-12H2,1-2H3
InChIKeyVZKAXEAQMWMMLH-UHFFFAOYSA-N
XLogP5.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

n,n-Dihexylacetamide
CID 243972
N,N-Dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 617533
2,2,3,3,4,4,4-Heptafluoro-N,N-bis(2-methylpropyl)butanamide
CID 4606680
N,N-Diethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5051020
N,N-di-(n-Undecyl)heptafluorobutanamide
CID 631749
N,N-Diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3660287
Heptanamide, N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
CID 4379511
N,N-diethyl-2,2,3,3-tetrafluoropropanamide
CID 136233
N,N-Dibutyl-2,2,2-trifluoroacetamide
CID 307195
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
N,N-di-n-Pentylheptafluorobutyramide
CID 617537
N,N-di-n-Undecyltrifluoroacetamide
CID 631766

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide (CID 533201) is 2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide is CCCCCCN(CCCCCC)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide?
The InChIKey is VZKAXEAQMWMMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F5NO/c1-3-5-7-9-11-21(12-10-8-6-4-2)13(22)14(16,17)15(18,19)20/h3-12H2,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide?
2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide has a molecular weight of 331.37 g/mol, XLogP of 5.17, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N,N-dihexylpropanamide is sourced from PubChem (CID 533201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).