2,2,3,3,3-pentafluoro-N-nonylpropanamide

C12H20F5NO — CID 600778

IUPAC2,2,3,3,3-pentafluoro-N-nonylpropanamide
SMILESCCCCCCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H20F5NO/c1-2-3-4-5-6-7-8-9-18-10(19)11(13,14)12(15,16)17/h2-9H2,1H3,(H,18,19)
InChIKeyNWUCHZIGQDOFJA-UHFFFAOYSA-N
MW289.29 g/mol
LogP4.05
Rot. Bonds9

About 2,2,3,3,3-pentafluoro-N-nonylpropanamide

2,2,3,3,3-pentafluoro-N-nonylpropanamide (PubChem CID 600778) has the molecular formula C12H20F5NO and a molecular weight of 289.29 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-nonylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-nonylpropanamide
PubChem CID600778
Molecular FormulaC12H20F5NO
Molecular Weight289.29 g/mol
Exact Mass289.15
IUPAC Name2,2,3,3,3-pentafluoro-N-nonylpropanamide
SMILESCCCCCCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H20F5NO/c1-2-3-4-5-6-7-8-9-18-10(19)11(13,14)12(15,16)17/h2-9H2,1H3,(H,18,19)
InChIKeyNWUCHZIGQDOFJA-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 54.05
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-nonylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-nonylpropanamide (CID 600778) is 2,2,3,3,3-pentafluoro-N-nonylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-nonylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-nonylpropanamide is CCCCCCCCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-nonylpropanamide?
The InChIKey is NWUCHZIGQDOFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F5NO/c1-2-3-4-5-6-7-8-9-18-10(19)11(13,14)12(15,16)17/h2-9H2,1H3,(H,18,19).
What are the key properties of 2,2,3,3,3-pentafluoro-N-nonylpropanamide?
2,2,3,3,3-pentafluoro-N-nonylpropanamide has a molecular weight of 289.29 g/mol, XLogP of 4.05, 9 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-nonylpropanamide is sourced from PubChem (CID 600778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).