6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide

C18H26ClF10NO — CID 4157928

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C18H26ClF10NO/c1-3-5-7-9-11-30(12-10-8-6-4-2)13(31)14(20,21)15(22,23)16(24,25)17(26,27)18(19,28)29/h3-12H2,1-2H3
InChIKeyYMUMUXZYICZNIU-UHFFFAOYSA-N
MW497.85 g/mol
LogP7.35
Rot. Bonds15

About 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide (PubChem CID 4157928) has the molecular formula C18H26ClF10NO and a molecular weight of 497.85 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide
PubChem CID4157928
Molecular FormulaC18H26ClF10NO
Molecular Weight497.85 g/mol
Exact Mass497.15
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C18H26ClF10NO/c1-3-5-7-9-11-30(12-10-8-6-4-2)13(31)14(20,21)15(22,23)16(24,25)17(26,27)18(19,28)29/h3-12H2,1-2H3
InChIKeyYMUMUXZYICZNIU-UHFFFAOYSA-N
XLogP7.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.85
LogP ≤ 57.35
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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Related Compounds

Heptafluorobutanamide, N,N-dihexyl-
CID 532976
N-butyl-N-(trifluoromethyl)hexanamide
CID 44550869
N-butyl-5-chloro-N-(trifluoromethyl)pentanamide
CID 44550871
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide
CID 3089643
4-chloro-4,4-difluoro-N,N-dihexylbutanamide
CID 53662019
6-[Methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride
CID 121378944
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide
CID 3089710
6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
CID 3089719
11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-dihexylundecanamide
CID 3089847
11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-di(nonyl)undecanamide
CID 3089848
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
11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-me thylpropyl)undecanamide
CID 3089870

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide (CID 4157928) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide is CCCCCCN(CCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide?
The InChIKey is YMUMUXZYICZNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClF10NO/c1-3-5-7-9-11-30(12-10-8-6-4-2)13(31)14(20,21)15(22,23)16(24,25)17(26,27)18(19,28)29/h3-12H2,1-2H3.
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide has a molecular weight of 497.85 g/mol, XLogP of 7.35, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide is sourced from PubChem (CID 4157928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).