2,2,3,3,3-pentafluoro-N-hexylpropanamide

C9H14F5NO — CID 600779

IUPAC2,2,3,3,3-pentafluoro-N-hexylpropanamide
SMILESCCCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F5NO/c1-2-3-4-5-6-15-7(16)8(10,11)9(12,13)14/h2-6H2,1H3,(H,15,16)
InChIKeyWMVFFBSJXLBQIO-UHFFFAOYSA-N
MW247.21 g/mol
LogP2.88
Rot. Bonds6

About 2,2,3,3,3-pentafluoro-N-hexylpropanamide

2,2,3,3,3-pentafluoro-N-hexylpropanamide (PubChem CID 600779) has the molecular formula C9H14F5NO and a molecular weight of 247.21 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-hexylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-hexylpropanamide
PubChem CID600779
Molecular FormulaC9H14F5NO
Molecular Weight247.21 g/mol
Exact Mass247.10
IUPAC Name2,2,3,3,3-pentafluoro-N-hexylpropanamide
SMILESCCCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F5NO/c1-2-3-4-5-6-15-7(16)8(10,11)9(12,13)14/h2-6H2,1H3,(H,15,16)
InChIKeyWMVFFBSJXLBQIO-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 52.88
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

N-Butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
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
N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 71325636
2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327
N-Butyltrifluoroacetamide
CID 283366
N-Cyclohexyl-2,2,2-trifluoroacetamide
CID 557702
n-Dodecyl-2,2,2-trifluoroacetamide
CID 611266
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
2,2,3,3,4,4,4-Heptafluoro-n-undecylbutanamide
CID 607665

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-hexylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-hexylpropanamide (CID 600779) is 2,2,3,3,3-pentafluoro-N-hexylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-hexylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-hexylpropanamide is CCCCCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-hexylpropanamide?
The InChIKey is WMVFFBSJXLBQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5NO/c1-2-3-4-5-6-15-7(16)8(10,11)9(12,13)14/h2-6H2,1H3,(H,15,16).
What are the key properties of 2,2,3,3,3-pentafluoro-N-hexylpropanamide?
2,2,3,3,3-pentafluoro-N-hexylpropanamide has a molecular weight of 247.21 g/mol, XLogP of 2.88, 6 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-hexylpropanamide is sourced from PubChem (CID 600779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).