2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide

C13H22F5NO — CID 71671749

IUPAC2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide
SMILESCCCCCN(CCCCC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H22F5NO/c1-3-5-7-9-19(10-8-6-4-2)11(20)12(14,15)13(16,17)18/h3-10H2,1-2H3
InChIKeyBTILVHJOKHDPJN-UHFFFAOYSA-N
MW303.31 g/mol
LogP4.39
Rot. Bonds9

About 2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide

2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide (PubChem CID 71671749) has the molecular formula C13H22F5NO and a molecular weight of 303.31 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide
PubChem CID71671749
Molecular FormulaC13H22F5NO
Molecular Weight303.31 g/mol
Exact Mass303.16
IUPAC Name2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide
SMILESCCCCCN(CCCCC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H22F5NO/c1-3-5-7-9-19(10-8-6-4-2)11(20)12(14,15)13(16,17)18/h3-10H2,1-2H3
InChIKeyBTILVHJOKHDPJN-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide (CID 71671749) is 2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide is CCCCCN(CCCCC)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide?
The InChIKey is BTILVHJOKHDPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F5NO/c1-3-5-7-9-19(10-8-6-4-2)11(20)12(14,15)13(16,17)18/h3-10H2,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide?
2,2,3,3,3-pentafluoro-N,N-dipentylpropanamide has a molecular weight of 303.31 g/mol, XLogP of 4.39, 9 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-dipentylpropanamide is sourced from PubChem (CID 71671749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).