N-decyl-5,5,6,6,6-pentafluorohexanamide

C16H28F5NO — CID 173258409

IUPACN-decyl-5,5,6,6,6-pentafluorohexanamide
SMILESCCCCCCCCCCNC(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C16H28F5NO/c1-2-3-4-5-6-7-8-9-13-22-14(23)11-10-12-15(17,18)16(19,20)21/h2-13H2,1H3,(H,22,23)
InChIKeyXEMZOONDVPEWPL-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.61
Rot. Bonds13

About N-decyl-5,5,6,6,6-pentafluorohexanamide

N-decyl-5,5,6,6,6-pentafluorohexanamide (PubChem CID 173258409) has the molecular formula C16H28F5NO and a molecular weight of 345.40 g/mol. Its IUPAC name is N-decyl-5,5,6,6,6-pentafluorohexanamide.

Molecular Properties

Compound NameN-decyl-5,5,6,6,6-pentafluorohexanamide
PubChem CID173258409
Molecular FormulaC16H28F5NO
Molecular Weight345.40 g/mol
Exact Mass345.21
IUPAC NameN-decyl-5,5,6,6,6-pentafluorohexanamide
SMILESCCCCCCCCCCNC(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C16H28F5NO/c1-2-3-4-5-6-7-8-9-13-22-14(23)11-10-12-15(17,18)16(19,20)21/h2-13H2,1H3,(H,22,23)
InChIKeyXEMZOONDVPEWPL-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.61
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-tetradecylpentanamide
CID 87172595
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-decyl-5,5,6,6,6-pentafluorohexanamide?
The IUPAC name of N-decyl-5,5,6,6,6-pentafluorohexanamide (CID 173258409) is N-decyl-5,5,6,6,6-pentafluorohexanamide.
What is the SMILES notation for N-decyl-5,5,6,6,6-pentafluorohexanamide?
The canonical SMILES for N-decyl-5,5,6,6,6-pentafluorohexanamide is CCCCCCCCCCNC(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of N-decyl-5,5,6,6,6-pentafluorohexanamide?
The InChIKey is XEMZOONDVPEWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F5NO/c1-2-3-4-5-6-7-8-9-13-22-14(23)11-10-12-15(17,18)16(19,20)21/h2-13H2,1H3,(H,22,23).
What are the key properties of N-decyl-5,5,6,6,6-pentafluorohexanamide?
N-decyl-5,5,6,6,6-pentafluorohexanamide has a molecular weight of 345.40 g/mol, XLogP of 5.61, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-5,5,6,6,6-pentafluorohexanamide is sourced from PubChem (CID 173258409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).