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

C16H22ClF10NO — CID 4157927

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide
SMILESCCCCCN(CCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C16H22ClF10NO/c1-3-5-7-9-28(10-8-6-4-2)11(29)12(18,19)13(20,21)14(22,23)15(24,25)16(17,26)27/h3-10H2,1-2H3
InChIKeyLYBSVZSKNGZTTF-UHFFFAOYSA-N
MW469.79 g/mol
LogP6.57
Rot. Bonds13

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

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide (PubChem CID 4157927) has the molecular formula C16H22ClF10NO and a molecular weight of 469.79 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide
PubChem CID4157927
Molecular FormulaC16H22ClF10NO
Molecular Weight469.79 g/mol
Exact Mass469.12
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide
SMILESCCCCCN(CCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C16H22ClF10NO/c1-3-5-7-9-28(10-8-6-4-2)11(29)12(18,19)13(20,21)14(22,23)15(24,25)16(17,26)27/h3-10H2,1-2H3
InChIKeyLYBSVZSKNGZTTF-UHFFFAOYSA-N
XLogP6.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.79
LogP ≤ 56.57
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-dipentylhexanamide?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide (CID 4157927) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide is CCCCCN(CCCCC)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-dipentylhexanamide?
The InChIKey is LYBSVZSKNGZTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF10NO/c1-3-5-7-9-28(10-8-6-4-2)11(29)12(18,19)13(20,21)14(22,23)15(24,25)16(17,26)27/h3-10H2,1-2H3.
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide has a molecular weight of 469.79 g/mol, XLogP of 6.57, 13 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-dipentylhexanamide is sourced from PubChem (CID 4157927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).