2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane

C33H8F12N8 — CID 176690347

About 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane

2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane (PubChem CID 176690347) has the molecular formula C33H8F12N8 and a molecular weight of 744.46 g/mol. Its IUPAC name is 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane.

Molecular Properties

• Compound Name: 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane
• PubChem CID: 176690347
• Molecular Formula: C33H8F12N8
• Molecular Weight: 744.46 g/mol
• Exact Mass: 744.07
• IUPAC Name: 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane
• SMILES: FCF.N#C/C(c1c(C#N)c(CF)cc(C(F)(F)F)c1C#N)=c1\cc/c(=C(\C#N)c2c(C#N)c(C(F)(F)F)cc(C(F)(F)F)c2C#N)c(C#N)c1C#N
• InChI: InChI=1S/C32H6F10N8.CH2F2/c33-5-14-3-25(30(34,35)36)22(11-48)28(17(14)6-43)20(9-46)15-1-2-16(19(8-45)18(15)7-44)21(10-47)29-23(12-49)26(31(37,38)39)4-27(24(29)13-50)32(40,41)42;2-1-3/h1-4H,5H2;1H2/b20-15-,21-16-
• InChIKey: MRFQJDRDKOMBHO-LGHUCVCBSA-N
• XLogP: 6.77
• TPSA: 190.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.46
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane?

The IUPAC name of 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane (CID 176690347) is 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane.

What is the SMILES notation for 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane?

The canonical SMILES for 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane is FCF.N#C/C(c1c(C#N)c(CF)cc(C(F)(F)F)c1C#N)=c1\cc/c(=C(\C#N)c2c(C#N)c(C(F)(F)F)cc(C(F)(F)F)c2C#N)c(C#N)c1C#N.

What is the InChIKey of 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane?

The InChIKey is MRFQJDRDKOMBHO-LGHUCVCBSA-N. The full InChI is InChI=1S/C32H6F10N8.CH2F2/c33-5-14-3-25(30(34,35)36)22(11-48)28(17(14)6-43)20(9-46)15-1-2-16(19(8-45)18(15)7-44)21(10-47)29-23(12-49)26(31(37,38)39)4-27(24(29)13-50)32(40,41)42;2-1-3/h1-4H,5H2;1H2/b20-15-,21-16-;.

What are the key properties of 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane?

2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane has a molecular weight of 744.46 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-cyano-[(4E)-2,3-dicyano-4-[cyano-[2,6-dicyano-3,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-4-(fluoromethyl)-6-(trifluoromethyl)benzene-1,3-dicarbonitrile;difluoromethane is sourced from PubChem (CID 176690347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).