2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide

C18H10F10N2O2 — CID 4123319

IUPAC2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
SMILESO=C(Nc1ccccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H10F10N2O2/c19-9-5-1-3-7-11(9)29-13(31)15(21,22)17(25,26)18(27,28)16(23,24)14(32)30-12-8-4-2-6-10(12)20/h1-8H,(H,29,31)(H,30,32)
InChIKeyMPWFKGPAAAXYAM-UHFFFAOYSA-N
MW476.27 g/mol
LogP5.08
Rot. Bonds7

About 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide

2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide (PubChem CID 4123319) has the molecular formula C18H10F10N2O2 and a molecular weight of 476.27 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
PubChem CID4123319
Molecular FormulaC18H10F10N2O2
Molecular Weight476.27 g/mol
Exact Mass476.06
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
SMILESO=C(Nc1ccccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H10F10N2O2/c19-9-5-1-3-7-11(9)29-13(31)15(21,22)17(25,26)18(27,28)16(23,24)14(32)30-12-8-4-2-6-10(12)20/h1-8H,(H,29,31)(H,30,32)
InChIKeyMPWFKGPAAAXYAM-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.27
LogP ≤ 55.08
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 4077005
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
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N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
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CID 108514248
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CID 163045888
S-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl] 2,2,3,3,4,4,4-heptafluorobutanethioate
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide (CID 4123319) is 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide is O=C(Nc1ccccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide?
The InChIKey is MPWFKGPAAAXYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F10N2O2/c19-9-5-1-3-7-11(9)29-13(31)15(21,22)17(25,26)18(27,28)16(23,24)14(32)30-12-8-4-2-6-10(12)20/h1-8H,(H,29,31)(H,30,32).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide?
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide has a molecular weight of 476.27 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide is sourced from PubChem (CID 4123319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).