2,2,3,3,3-pentafluoro-N-octylpropanamide

C11H18F5NO — CID 600760

IUPAC2,2,3,3,3-pentafluoro-N-octylpropanamide
SMILESCCCCCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H18F5NO/c1-2-3-4-5-6-7-8-17-9(18)10(12,13)11(14,15)16/h2-8H2,1H3,(H,17,18)
InChIKeyIVJJCCWXLNBFMZ-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.66
Rot. Bonds8

About 2,2,3,3,3-pentafluoro-N-octylpropanamide

2,2,3,3,3-pentafluoro-N-octylpropanamide (PubChem CID 600760) has the molecular formula C11H18F5NO and a molecular weight of 275.26 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-octylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-octylpropanamide
PubChem CID600760
Molecular FormulaC11H18F5NO
Molecular Weight275.26 g/mol
Exact Mass275.13
IUPAC Name2,2,3,3,3-pentafluoro-N-octylpropanamide
SMILESCCCCCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H18F5NO/c1-2-3-4-5-6-7-8-17-9(18)10(12,13)11(14,15)16/h2-8H2,1H3,(H,17,18)
InChIKeyIVJJCCWXLNBFMZ-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.66
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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Related Compounds

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CID 19764
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CID 39431
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CID 98880
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CID 3735895
N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-2-iodoacetamide
CID 11181288
N-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)iodoacetamide
CID 11387213
3-(Pentadecafluorooctanoylamino)propyltrimethylaminium
CID 15579285
N-[3-(Methylamino)propyl]perfluorooctanamide
CID 53722673
N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 71325636
N-decylbutanamide
CID 3614377
N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
n-Dodecyl-2,2,2-trifluoroacetamide
CID 611266

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-octylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-octylpropanamide (CID 600760) is 2,2,3,3,3-pentafluoro-N-octylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-octylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-octylpropanamide is CCCCCCCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-octylpropanamide?
The InChIKey is IVJJCCWXLNBFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F5NO/c1-2-3-4-5-6-7-8-17-9(18)10(12,13)11(14,15)16/h2-8H2,1H3,(H,17,18).
What are the key properties of 2,2,3,3,3-pentafluoro-N-octylpropanamide?
2,2,3,3,3-pentafluoro-N-octylpropanamide has a molecular weight of 275.26 g/mol, XLogP of 3.66, 8 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-octylpropanamide is sourced from PubChem (CID 600760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).