N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide

C18H8F12N2O2 — CID 3369312

IUPACN,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
SMILESO=C(Nc1ccc(F)c(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H8F12N2O2/c19-9-3-1-7(5-11(9)21)31-13(33)15(23,24)17(27,28)18(29,30)16(25,26)14(34)32-8-2-4-10(20)12(22)6-8/h1-6H,(H,31,33)(H,32,34)
InChIKeyMHBDITIJQNPEJS-UHFFFAOYSA-N
MW512.25 g/mol
LogP5.36
Rot. Bonds7

About N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide

N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide (PubChem CID 3369312) has the molecular formula C18H8F12N2O2 and a molecular weight of 512.25 g/mol. Its IUPAC name is N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide.

Molecular Properties

Compound NameN,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
PubChem CID3369312
Molecular FormulaC18H8F12N2O2
Molecular Weight512.25 g/mol
Exact Mass512.04
IUPAC NameN,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
SMILESO=C(Nc1ccc(F)c(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H8F12N2O2/c19-9-3-1-7(5-11(9)21)31-13(33)15(23,24)17(27,28)18(29,30)16(25,26)14(34)32-8-2-4-10(20)12(22)6-8/h1-6H,(H,31,33)(H,32,34)
InChIKeyMHBDITIJQNPEJS-UHFFFAOYSA-N
XLogP5.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.25
LogP ≤ 55.36
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

N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-fluorophenyl)hexanamide
CID 3278706
N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114037844
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967527
CID 143868293
CID 143868293
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
1-(3,4-difluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea
CID 71672999
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide
CID 4178133
N-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970179
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide?
The IUPAC name of N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide (CID 3369312) is N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide.
What is the SMILES notation for N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide?
The canonical SMILES for N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide is O=C(Nc1ccc(F)c(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide?
The InChIKey is MHBDITIJQNPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F12N2O2/c19-9-3-1-7(5-11(9)21)31-13(33)15(23,24)17(27,28)18(29,30)16(25,26)14(34)32-8-2-4-10(20)12(22)6-8/h1-6H,(H,31,33)(H,32,34).
What are the key properties of N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide?
N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide has a molecular weight of 512.25 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide is sourced from PubChem (CID 3369312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).