11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide

C35H50ClF20NO — CID 3089849

IUPAC11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C35H50ClF20NO/c1-3-5-7-9-11-13-15-17-19-21-23-57(24-22-20-18-16-14-12-10-8-6-4-2)25(58)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)31(47,48)32(49,50)33(51,52)34(53,54)35(36,55)56/h3-24H2,1-2H3
InChIKeyMZVRTVJDJJOHDR-UHFFFAOYSA-N
MW916.20 g/mol
LogP15.21
Rot. Bonds32

About 11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide

11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide (PubChem CID 3089849) has the molecular formula C35H50ClF20NO and a molecular weight of 916.20 g/mol. Its IUPAC name is 11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide.

Molecular Properties

Compound Name11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
PubChem CID3089849
Molecular FormulaC35H50ClF20NO
Molecular Weight916.20 g/mol
Exact Mass915.33
IUPAC Name11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C35H50ClF20NO/c1-3-5-7-9-11-13-15-17-19-21-23-57(24-22-20-18-16-14-12-10-8-6-4-2)25(58)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)31(47,48)32(49,50)33(51,52)34(53,54)35(36,55)56/h3-24H2,1-2H3
InChIKeyMZVRTVJDJJOHDR-UHFFFAOYSA-N
XLogP15.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.20
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide?
The IUPAC name of 11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide (CID 3089849) is 11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide.
What is the SMILES notation for 11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide?
The canonical SMILES for 11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide?
The InChIKey is MZVRTVJDJJOHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50ClF20NO/c1-3-5-7-9-11-13-15-17-19-21-23-57(24-22-20-18-16-14-12-10-8-6-4-2)25(58)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)31(47,48)32(49,50)33(51,52)34(53,54)35(36,55)56/h3-24H2,1-2H3.
What are the key properties of 11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide?
11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide has a molecular weight of 916.20 g/mol, XLogP of 15.21, 32 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide is sourced from PubChem (CID 3089849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).