1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide

C18H24F11NO — CID 3271293

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide
SMILESCCCCCCCCCCCNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C18H24F11NO/c1-2-3-4-5-6-7-8-9-10-11-30-12(31)13(19)14(20,21)16(24,25)18(28,29)17(26,27)15(13,22)23/h2-11H2,1H3,(H,30,31)
InChIKeyVNEYEMQBGVFJHN-UHFFFAOYSA-N
MW479.37 g/mol
LogP6.53
Rot. Bonds11

About 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide (PubChem CID 3271293) has the molecular formula C18H24F11NO and a molecular weight of 479.37 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide
PubChem CID3271293
Molecular FormulaC18H24F11NO
Molecular Weight479.37 g/mol
Exact Mass479.17
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide
SMILESCCCCCCCCCCCNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C18H24F11NO/c1-2-3-4-5-6-7-8-9-10-11-30-12(31)13(19)14(20,21)16(24,25)18(28,29)17(26,27)15(13,22)23/h2-11H2,1H3,(H,30,31)
InChIKeyVNEYEMQBGVFJHN-UHFFFAOYSA-N
XLogP6.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 56.53
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 11392932
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
1-butyl-3-octylurea
CID 17269600
N-pentadecylacetamide
CID 12009452
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide (CID 3271293) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide is CCCCCCCCCCCNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide?
The InChIKey is VNEYEMQBGVFJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F11NO/c1-2-3-4-5-6-7-8-9-10-11-30-12(31)13(19)14(20,21)16(24,25)18(28,29)17(26,27)15(13,22)23/h2-11H2,1H3,(H,30,31).
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide has a molecular weight of 479.37 g/mol, XLogP of 6.53, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide is sourced from PubChem (CID 3271293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).