2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide

C13H20F6N2O4 — CID 648321

IUPAC2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
SMILESO=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCO
InChIInChI=1S/C13H20F6N2O4/c14-11(15,9(24)20-5-1-3-7-22)13(18,19)12(16,17)10(25)21-6-2-4-8-23/h22-23H,1-8H2,(H,20,24)(H,21,25)
InChIKeyYMIYMFBPMMRMNM-UHFFFAOYSA-N
MW382.30 g/mol
LogP0.67
Rot. Bonds12

About 2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide

2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide (PubChem CID 648321) has the molecular formula C13H20F6N2O4 and a molecular weight of 382.30 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
PubChem CID648321
Molecular FormulaC13H20F6N2O4
Molecular Weight382.30 g/mol
Exact Mass382.13
IUPAC Name2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
SMILESO=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCO
InChIInChI=1S/C13H20F6N2O4/c14-11(15,9(24)20-5-1-3-7-22)13(18,19)12(16,17)10(25)21-6-2-4-8-23/h22-23H,1-8H2,(H,20,24)(H,21,25)
InChIKeyYMIYMFBPMMRMNM-UHFFFAOYSA-N
XLogP0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide
CID 3532120
2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
CID 3089717
2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide
CID 4047638
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-[6-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoylamino)hexyl]hexanamide
CID 177421303
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[7-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)heptyl]nonanamide
CID 3089716
2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
CID 107168274
2,2,3,3,4,4,5,5-octafluoro-N,N'-dioctylhexanediamide
CID 4134116
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide
CID 3746335
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-diheptylheptanediamide
CID 5227382
2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
CID 110839292
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 163324662
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide
CID 3090460

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide (CID 648321) is 2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide is O=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCO.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide?
The InChIKey is YMIYMFBPMMRMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6N2O4/c14-11(15,9(24)20-5-1-3-7-22)13(18,19)12(16,17)10(25)21-6-2-4-8-23/h22-23H,1-8H2,(H,20,24)(H,21,25).
What are the key properties of 2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide?
2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide has a molecular weight of 382.30 g/mol, XLogP of 0.67, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide is sourced from PubChem (CID 648321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).