4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile

C52F56N8 — CID 159067440

IUPAC4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile
SMILESN#Cc1c(C#N)c(C(F)(C(F)(F)F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1C(F)(C(F)(F)F)C(F)(F)F.N#Cc1c(C#N)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(F)(C(F)(F)F)C(F)(F)F.N#Cc1c(F)c(C(F)(F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1C#N.N#Cc1c(F)c(F)c(F)c(F)c1C#N
InChIInChI=1S/C17F22N2.C14F16N2.C13F14N2.C8F4N2/c18-8-6(10(20,14(28,29)30)15(31,32)33)4(2-41)3(1-40)5(9(19,12(22,23)24)13(25,26)27)7(8)11(21,16(34,35)36)17(37,38)39;15-7-5(9(17,11(19,20)21)12(22,23)24)3(1-31)4(2-32)6(8(7)16)10(18,13(25,26)27)14(28,29)30;14-7-3(1-28)4(2-29)8(15)6(10(17,18)13(25,26)27)5(7)9(16,11(19,20)21)12(22,23)24;9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
InChIKeyJZFUQRHINMJETM-UHFFFAOYSA-N
MW1800.52 g/mol
LogP22.36
Rot. Bonds7

About 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile

4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile (PubChem CID 159067440) has the molecular formula C52F56N8 and a molecular weight of 1800.52 g/mol. Its IUPAC name is 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile
PubChem CID159067440
Molecular FormulaC52F56N8
Molecular Weight1800.52 g/mol
Exact Mass1799.94
IUPAC Name4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile
SMILESN#Cc1c(C#N)c(C(F)(C(F)(F)F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1C(F)(C(F)(F)F)C(F)(F)F.N#Cc1c(C#N)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(F)(C(F)(F)F)C(F)(F)F.N#Cc1c(F)c(C(F)(F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1C#N.N#Cc1c(F)c(F)c(F)c(F)c1C#N
InChIInChI=1S/C17F22N2.C14F16N2.C13F14N2.C8F4N2/c18-8-6(10(20,14(28,29)30)15(31,32)33)4(2-41)3(1-40)5(9(19,12(22,23)24)13(25,26)27)7(8)11(21,16(34,35)36)17(37,38)39;15-7-5(9(17,11(19,20)21)12(22,23)24)3(1-31)4(2-32)6(8(7)16)10(18,13(25,26)27)14(28,29)30;14-7-3(1-28)4(2-29)8(15)6(10(17,18)13(25,26)27)5(7)9(16,11(19,20)21)12(22,23)24;9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
InChIKeyJZFUQRHINMJETM-UHFFFAOYSA-N
XLogP22.36
TPSA190.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001800.52
LogP ≤ 522.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile (CID 159067440) is 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile is N#Cc1c(C#N)c(C(F)(C(F)(F)F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1C(F)(C(F)(F)F)C(F)(F)F.N#Cc1c(C#N)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(F)(C(F)(F)F)C(F)(F)F.N#Cc1c(F)c(C(F)(F)C(F)(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1C#N.N#Cc1c(F)c(F)c(F)c(F)c1C#N.
What is the InChIKey of 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile?
The InChIKey is JZFUQRHINMJETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17F22N2.C14F16N2.C13F14N2.C8F4N2/c18-8-6(10(20,14(28,29)30)15(31,32)33)4(2-41)3(1-40)5(9(19,12(22,23)24)13(25,26)27)7(8)11(21,16(34,35)36)17(37,38)39;15-7-5(9(17,11(19,20)21)12(22,23)24)3(1-31)4(2-32)6(8(7)16)10(18,13(25,26)27)14(28,29)30;14-7-3(1-28)4(2-29)8(15)6(10(17,18)13(25,26)27)5(7)9(16,11(19,20)21)12(22,23)24;9-5-3(1-13)4(2-14)6(10)8(12)7(5)11.
What are the key properties of 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile?
4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile has a molecular weight of 1800.52 g/mol, XLogP of 22.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,2,2,2-pentafluoroethyl)benzene-1,2-dicarbonitrile;4-fluoro-3,5,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,2-dicarbonitrile;3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile is sourced from PubChem (CID 159067440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).