N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide

C16H20F8N2O2 — CID 4201164

IUPACN,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide
SMILESO=C(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1CCCC1
InChIInChI=1S/C16H20F8N2O2/c17-13(18,11(27)25-9-5-1-2-6-9)15(21,22)16(23,24)14(19,20)12(28)26-10-7-3-4-8-10/h9-10H,1-8H2,(H,25,27)(H,26,28)
InChIKeyISOLMXGIRCCJRF-UHFFFAOYSA-N
MW424.33 g/mol
LogP3.65
Rot. Bonds7

About N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide

N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide (PubChem CID 4201164) has the molecular formula C16H20F8N2O2 and a molecular weight of 424.33 g/mol. Its IUPAC name is N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide.

Molecular Properties

Compound NameN,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide
PubChem CID4201164
Molecular FormulaC16H20F8N2O2
Molecular Weight424.33 g/mol
Exact Mass424.14
IUPAC NameN,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide
SMILESO=C(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1CCCC1
InChIInChI=1S/C16H20F8N2O2/c17-13(18,11(27)25-9-5-1-2-6-9)15(21,22)16(23,24)14(19,20)12(28)26-10-7-3-4-8-10/h9-10H,1-8H2,(H,25,27)(H,26,28)
InChIKeyISOLMXGIRCCJRF-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 19177836
N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 573411
4-chloro-N-cyclooctyl-2,2,3,3,4,4-hexafluorobutanamide
CID 4125332
N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide
CID 3360034
2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
CID 3089857
N-cyclopropyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
CID 3089677
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
CID 40538968
N-cyclopentyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310113
2-cyano-N-cyclopentyl-2-methylpropanamide
CID 60778685
N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide?
The IUPAC name of N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide (CID 4201164) is N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide.
What is the SMILES notation for N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide?
The canonical SMILES for N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide is O=C(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1CCCC1.
What is the InChIKey of N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide?
The InChIKey is ISOLMXGIRCCJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F8N2O2/c17-13(18,11(27)25-9-5-1-2-6-9)15(21,22)16(23,24)14(19,20)12(28)26-10-7-3-4-8-10/h9-10H,1-8H2,(H,25,27)(H,26,28).
What are the key properties of N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide?
N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide has a molecular weight of 424.33 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide is sourced from PubChem (CID 4201164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).