2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene

C25H18F6S4 — CID 21044686

IUPAC2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene
SMILESCc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(C)s5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)s1
InChIInChI=1S/C25H18F6S4/c1-11-9-17(15-7-5-13(3)32-15)34-21(11)19-20(24(28,29)25(30,31)23(19,26)27)22-12(2)10-18(35-22)16-8-6-14(4)33-16/h5-10H,1-4H3
InChIKeyVNCRVBWEVKYJRN-UHFFFAOYSA-N
MW560.68 g/mol
LogP10.33
Rot. Bonds4

About 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene

2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene (PubChem CID 21044686) has the molecular formula C25H18F6S4 and a molecular weight of 560.68 g/mol. Its IUPAC name is 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene
PubChem CID21044686
Molecular FormulaC25H18F6S4
Molecular Weight560.68 g/mol
Exact Mass560.02
IUPAC Name2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene
SMILESCc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(C)s5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)s1
InChIInChI=1S/C25H18F6S4/c1-11-9-17(15-7-5-13(3)32-15)34-21(11)19-20(24(28,29)25(30,31)23(19,26)27)22-12(2)10-18(35-22)16-8-6-14(4)33-16/h5-10H,1-4H3
InChIKeyVNCRVBWEVKYJRN-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.68
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene with MolForge

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Related Compounds

3,3'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
CID 389751
3,3'-(Perfluorocyclopent-1-ene-1,2-diyl)bis(2,5-dimethylthiophene)
CID 15535876
1~5~,4~5~-Bis(tridecafluorohexyl)-1~2~,2~2~:2~5~,3~2~:3~5~,4~2~-quaterthiophene
CID 21131072
2,2':5',2''-Terthiophene, 3',4'-dibutyl-
CID 4120443
3,3'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene
CID 12141630
2,3,5-Tris(2-thienyl)thiophene
CID 376724
3-Dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecyl-2-thienyl)-2-thienyl]-2-thienyl]-2-thienyl]-2-[5-[5-(3-dodecyl-2-thienyl)-2-thienyl]-2-thienyl]thiophene
CID 389752
1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene
CID 15445080
1,2-Bis(3-methyl-5-phenyl-2-thienyl)perfluorocyclopentene
CID 101101183
1,2-Bis(3,5-dimethyl-2-thienyl)perfluorocyclopentene
CID 5325966
2,5-Bis(2-thienyl)-3-(3-thienyl)thiophene
CID 376722
1~5~,4~5~-Dicyclohexyl-1~2~,2~2~:2~5~,3~2~:3~5~,4~2~-quaterthiophene
CID 54556309

Frequently Asked Questions

What is the IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene?
The IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene (CID 21044686) is 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene?
The canonical SMILES for 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene is Cc1ccc(-c2cc(C)c(C3=C(c4sc(-c5ccc(C)s5)cc4C)C(F)(F)C(F)(F)C3(F)F)s2)s1.
What is the InChIKey of 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene?
The InChIKey is VNCRVBWEVKYJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6S4/c1-11-9-17(15-7-5-13(3)32-15)34-21(11)19-20(24(28,29)25(30,31)23(19,26)27)22-12(2)10-18(35-22)16-8-6-14(4)33-16/h5-10H,1-4H3.
What are the key properties of 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene?
2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene has a molecular weight of 560.68 g/mol, XLogP of 10.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-(5-methylthiophen-2-yl)thiophene is sourced from PubChem (CID 21044686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).