2,2,3,3,3-pentafluoro-N-pentylpropanamide

C8H12F5NO — CID 600673

IUPAC2,2,3,3,3-pentafluoro-N-pentylpropanamide
SMILESCCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO/c1-2-3-4-5-14-6(15)7(9,10)8(11,12)13/h2-5H2,1H3,(H,14,15)
InChIKeyZDTRGNGXDFYEBK-UHFFFAOYSA-N
MW233.18 g/mol
LogP2.49
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-pentylpropanamide

2,2,3,3,3-pentafluoro-N-pentylpropanamide (PubChem CID 600673) has the molecular formula C8H12F5NO and a molecular weight of 233.18 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-pentylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-pentylpropanamide
PubChem CID600673
Molecular FormulaC8H12F5NO
Molecular Weight233.18 g/mol
Exact Mass233.08
IUPAC Name2,2,3,3,3-pentafluoro-N-pentylpropanamide
SMILESCCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO/c1-2-3-4-5-14-6(15)7(9,10)8(11,12)13/h2-5H2,1H3,(H,14,15)
InChIKeyZDTRGNGXDFYEBK-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
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-pentylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-pentylpropanamide (CID 600673) is 2,2,3,3,3-pentafluoro-N-pentylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-pentylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-pentylpropanamide is CCCCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-pentylpropanamide?
The InChIKey is ZDTRGNGXDFYEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO/c1-2-3-4-5-14-6(15)7(9,10)8(11,12)13/h2-5H2,1H3,(H,14,15).
What are the key properties of 2,2,3,3,3-pentafluoro-N-pentylpropanamide?
2,2,3,3,3-pentafluoro-N-pentylpropanamide has a molecular weight of 233.18 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-pentylpropanamide is sourced from PubChem (CID 600673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).