2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide

C11H14F9NO2 — CID 3089768

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide
SMILESO=C(NCCCCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c12-8(13,7(23)21-5-3-1-2-4-6-22)9(14,15)10(16,17)11(18,19)20/h22H,1-6H2,(H,21,23)
InChIKeyMBQBZBCFNDUSMD-UHFFFAOYSA-N
MW363.22 g/mol
LogP3.12
Rot. Bonds9

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide (PubChem CID 3089768) has the molecular formula C11H14F9NO2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide
PubChem CID3089768
Molecular FormulaC11H14F9NO2
Molecular Weight363.22 g/mol
Exact Mass363.09
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide
SMILESO=C(NCCCCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c12-8(13,7(23)21-5-3-1-2-4-6-22)9(14,15)10(16,17)11(18,19)20/h22H,1-6H2,(H,21,23)
InChIKeyMBQBZBCFNDUSMD-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(6-Hydroxyhexyl)trifluoroacetamide
CID 3627607
2,2,3,3,4,4-Hexafluoro-pentanedioic acid bis-[(4-hydroxy-butyl)-amide]
CID 648321
6-(Trifluoroacetamido)hexanoic Acid
CID 303593
N-(6-Hydroxyhexyl)butanamide
CID 15732299
Heptanamide, tridecafluoro-N-(4-hydroxybutyl)-
CID 543811
2,2,3,3,4,4,4-Heptafluoro-N-[trans-4-hydroxycyclohexyl]butanamide
CID 91697599
N-(6-Aminohexyl)-6-hydroxyhexanamide
CID 3024494
10-[(Trifluoroacetyl)amino]-1-decanol
CID 53413893
N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide
CID 58012537
C5F11Conhc2H4OH
CID 85767877
2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide
CID 86289671
2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide
CID 87145885

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide (CID 3089768) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide is O=C(NCCCCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide?
The InChIKey is MBQBZBCFNDUSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F9NO2/c12-8(13,7(23)21-5-3-1-2-4-6-22)9(14,15)10(16,17)11(18,19)20/h22H,1-6H2,(H,21,23).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide has a molecular weight of 363.22 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(6-hydroxyhexyl)pentanamide is sourced from PubChem (CID 3089768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).