4,10-dimethyl-2,8-bis(trifluoromethyl)perylene

C24H14F6 — CID 88869821

IUPAC4,10-dimethyl-2,8-bis(trifluoromethyl)perylene
SMILESCc1ccc2c3cc(C(F)(F)F)cc4c(C)ccc(c5cc(C(F)(F)F)cc1c25)c43
InChIInChI=1S/C24H14F6/c1-11-3-5-15-20-10-14(24(28,29)30)8-18-12(2)4-6-16(22(18)20)19-9-13(23(25,26)27)7-17(11)21(15)19/h3-10H,1-2H3
InChIKeyIUGOBEWWDAZING-UHFFFAOYSA-N
MW416.36 g/mol
LogP8.39
Rot. Bonds

About 4,10-dimethyl-2,8-bis(trifluoromethyl)perylene

4,10-dimethyl-2,8-bis(trifluoromethyl)perylene (PubChem CID 88869821) has the molecular formula C24H14F6 and a molecular weight of 416.36 g/mol. Its IUPAC name is 4,10-dimethyl-2,8-bis(trifluoromethyl)perylene.

Molecular Properties

Compound Name4,10-dimethyl-2,8-bis(trifluoromethyl)perylene
PubChem CID88869821
Molecular FormulaC24H14F6
Molecular Weight416.36 g/mol
Exact Mass416.10
IUPAC Name4,10-dimethyl-2,8-bis(trifluoromethyl)perylene
SMILESCc1ccc2c3cc(C(F)(F)F)cc4c(C)ccc(c5cc(C(F)(F)F)cc1c25)c43
InChIInChI=1S/C24H14F6/c1-11-3-5-15-20-10-14(24(28,29)30)8-18-12(2)4-6-16(22(18)20)19-9-13(23(25,26)27)7-17(11)21(15)19/h3-10H,1-2H3
InChIKeyIUGOBEWWDAZING-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.36
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,10-dimethyl-2,8-bis(4-methylphenyl)perylene
CID 123706670
4,9-dimethyl-2,11-bis(4-methylphenyl)perylene
CID 123251598
4,9-dimethyl-2,11-bis(2-methylpropyl)perylene
CID 123592289
1,3,6,8,10,11-hexakis(trifluoromethyl)triphenylene
CID 90327361
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
2,6-dimethyl-4-(trifluoromethyl)aniline;methane
CID 160577208
2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene
CID 117063489
4-methyl-6-(trifluoromethyl)-1H-indole
CID 70228775
1,4,5,8-tetramethylphenanthrene
CID 14619660
tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane
CID 102469414
6-methyl-16-(trifluoromethyl)-11-thiapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-1(12),2(10),3(8),4,6,14(19),15,17-octaene-9,13-dione
CID 134381498
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301

Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-2,8-bis(trifluoromethyl)perylene?
The IUPAC name of 4,10-dimethyl-2,8-bis(trifluoromethyl)perylene (CID 88869821) is 4,10-dimethyl-2,8-bis(trifluoromethyl)perylene.
What is the SMILES notation for 4,10-dimethyl-2,8-bis(trifluoromethyl)perylene?
The canonical SMILES for 4,10-dimethyl-2,8-bis(trifluoromethyl)perylene is Cc1ccc2c3cc(C(F)(F)F)cc4c(C)ccc(c5cc(C(F)(F)F)cc1c25)c43.
What is the InChIKey of 4,10-dimethyl-2,8-bis(trifluoromethyl)perylene?
The InChIKey is IUGOBEWWDAZING-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6/c1-11-3-5-15-20-10-14(24(28,29)30)8-18-12(2)4-6-16(22(18)20)19-9-13(23(25,26)27)7-17(11)21(15)19/h3-10H,1-2H3.
What are the key properties of 4,10-dimethyl-2,8-bis(trifluoromethyl)perylene?
4,10-dimethyl-2,8-bis(trifluoromethyl)perylene has a molecular weight of 416.36 g/mol, XLogP of 8.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-2,8-bis(trifluoromethyl)perylene is sourced from PubChem (CID 88869821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).