5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide

C103H102F6O2S-8 — CID 159237659

IUPAC5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide
SMILESCC1=CC(=C2C=CC(C(F)(F)F)=C[CH-]2)C=C1C.Cc1cc(-c2cc(C)c(C)[cH-]2)cc(C(F)(F)F)c1.Cc1cc(-c2cc[c-](C)[o+]2)[c-](C)c1.Cc1cc[c-](-c2cc[c-](C)[o+]2)c1.Cc1cc[c-](-c2cc[c-](C)[s+]2)c1.Cc1ccc(-[c-]2ccc(C)c2)cc1.Cc1cccc(-[c-]2cc(C)c(C)c2)c1.Cc1cccc(-[c-]2ccc(C)c2)c1
InChIInChI=1S/C15H14F3.C14H12F3.C14H15.2C13H13.C12H13O.C11H11O.C11H11S/c1-9-4-12(8-14(5-9)15(16,17)18)13-6-10(2)11(3)7-13;1-9-7-12(8-10(9)2)11-3-5-13(6-4-11)14(15,16)17;1-10-5-4-6-13(7-10)14-8-11(2)12(3)9-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-13;1-10-4-3-5-12(8-10)13-7-6-11(2)9-13;1-8-6-9(2)11(7-8)12-5-4-10(3)13-12;2*1-8-3-5-10(7-8)11-6-4-9(2)12-11/h4-8H,1-3H3;3-8H,1-2H3;4-9H,1-3H3;2*3-9H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3/q8*-1
InChIKeyKTROBWYJMDTWII-UHFFFAOYSA-N
MW1518.00 g/mol
LogP31.47
Rot. Bonds7

About 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide

5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide (PubChem CID 159237659) has the molecular formula C103H102F6O2S-8 and a molecular weight of 1518.00 g/mol. Its IUPAC name is 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide.

Molecular Properties

Compound Name5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide
PubChem CID159237659
Molecular FormulaC103H102F6O2S-8
Molecular Weight1518.00 g/mol
Exact Mass1516.75
IUPAC Name5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide
SMILESCC1=CC(=C2C=CC(C(F)(F)F)=C[CH-]2)C=C1C.Cc1cc(-c2cc(C)c(C)[cH-]2)cc(C(F)(F)F)c1.Cc1cc(-c2cc[c-](C)[o+]2)[c-](C)c1.Cc1cc[c-](-c2cc[c-](C)[o+]2)c1.Cc1cc[c-](-c2cc[c-](C)[s+]2)c1.Cc1ccc(-[c-]2ccc(C)c2)cc1.Cc1cccc(-[c-]2cc(C)c(C)c2)c1.Cc1cccc(-[c-]2ccc(C)c2)c1
InChIInChI=1S/C15H14F3.C14H12F3.C14H15.2C13H13.C12H13O.C11H11O.C11H11S/c1-9-4-12(8-14(5-9)15(16,17)18)13-6-10(2)11(3)7-13;1-9-7-12(8-10(9)2)11-3-5-13(6-4-11)14(15,16)17;1-10-5-4-6-13(7-10)14-8-11(2)12(3)9-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-13;1-10-4-3-5-12(8-10)13-7-6-11(2)9-13;1-8-6-9(2)11(7-8)12-5-4-10(3)13-12;2*1-8-3-5-10(7-8)11-6-4-9(2)12-11/h4-8H,1-3H3;3-8H,1-2H3;4-9H,1-3H3;2*3-9H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3/q8*-1
InChIKeyKTROBWYJMDTWII-UHFFFAOYSA-N
XLogP31.47
TPSA22.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001518.00
LogP ≤ 531.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide?
The IUPAC name of 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide (CID 159237659) is 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide.
What is the SMILES notation for 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide?
The canonical SMILES for 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide is CC1=CC(=C2C=CC(C(F)(F)F)=C[CH-]2)C=C1C.Cc1cc(-c2cc(C)c(C)[cH-]2)cc(C(F)(F)F)c1.Cc1cc(-c2cc[c-](C)[o+]2)[c-](C)c1.Cc1cc[c-](-c2cc[c-](C)[o+]2)c1.Cc1cc[c-](-c2cc[c-](C)[s+]2)c1.Cc1ccc(-[c-]2ccc(C)c2)cc1.Cc1cccc(-[c-]2cc(C)c(C)c2)c1.Cc1cccc(-[c-]2ccc(C)c2)c1.
What is the InChIKey of 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide?
The InChIKey is KTROBWYJMDTWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3.C14H12F3.C14H15.2C13H13.C12H13O.C11H11O.C11H11S/c1-9-4-12(8-14(5-9)15(16,17)18)13-6-10(2)11(3)7-13;1-9-7-12(8-10(9)2)11-3-5-13(6-4-11)14(15,16)17;1-10-5-4-6-13(7-10)14-8-11(2)12(3)9-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-13;1-10-4-3-5-12(8-10)13-7-6-11(2)9-13;1-8-6-9(2)11(7-8)12-5-4-10(3)13-12;2*1-8-3-5-10(7-8)11-6-4-9(2)12-11/h4-8H,1-3H3;3-8H,1-2H3;4-9H,1-3H3;2*3-9H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3/q8*-1.
What are the key properties of 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide?
5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide has a molecular weight of 1518.00 g/mol, XLogP of 31.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene;1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene;2-(3,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methylfuran-1-ium-5-ide;1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-3-methyl-5-(trifluoromethyl)benzene;1-methyl-3-(3-methylcyclopenta-2,4-dien-1-yl)benzene;1-methyl-4-(3-methylcyclopenta-2,4-dien-1-yl)benzene;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)furan-1-ium-2-ide;2-methyl-5-(3-methylcyclopenta-2,4-dien-1-yl)thiophen-1-ium-2-ide is sourced from PubChem (CID 159237659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).