2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene

C27H18F6S2 — CID 101101183

IUPAC2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene
SMILESCc1cc(-c2ccccc2)sc1C1=C(c2sc(-c3ccccc3)cc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C27H18F6S2/c1-15-13-19(17-9-5-3-6-10-17)34-23(15)21-22(26(30,31)27(32,33)25(21,28)29)24-16(2)14-20(35-24)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyDHDYSFLMHFBDTM-UHFFFAOYSA-N
MW520.56 g/mol
LogP9.59
Rot. Bonds4

About 2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene

2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene (PubChem CID 101101183) has the molecular formula C27H18F6S2 and a molecular weight of 520.56 g/mol. Its IUPAC name is 2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene.

Molecular Properties

Compound Name2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene
PubChem CID101101183
Molecular FormulaC27H18F6S2
Molecular Weight520.56 g/mol
Exact Mass520.08
IUPAC Name2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene
SMILESCc1cc(-c2ccccc2)sc1C1=C(c2sc(-c3ccccc3)cc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C27H18F6S2/c1-15-13-19(17-9-5-3-6-10-17)34-23(15)21-22(26(30,31)27(32,33)25(21,28)29)24-16(2)14-20(35-24)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyDHDYSFLMHFBDTM-UHFFFAOYSA-N
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.56
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-[3-[5-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-4-methylthiophen-2-yl]phenyl] ethanethioate
CID 162540260
2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-1-benzothiophene
CID 102212121
2-[2-(3,5-dimethylthiophen-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophene
CID 5325966
3-[3,3,4,4,5,5-hexafluoro-2-[5-[5-[5-[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102279973
3-[2-[2,5-bis(4-methylphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(4-methylphenyl)thiophene
CID 90397587
2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102162968
3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopentene-1-carbaldehyde
CID 59420013
5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
CID 134393777
3-[3,3,4,4,5,5-hexafluoro-2-[2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102577266
2-ethoxy-3-[2-(2-ethoxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene
CID 11017310
triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane
CID 156711255
2-heptan-4-yl-3-[3,3,4,4,5,5-hexafluoro-2-(2-heptan-4-yl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophene
CID 102200911

Frequently Asked Questions

What is the IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene?
The IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene (CID 101101183) is 2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene.
What is the SMILES notation for 2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene?
The canonical SMILES for 2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene is Cc1cc(-c2ccccc2)sc1C1=C(c2sc(-c3ccccc3)cc2C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene?
The InChIKey is DHDYSFLMHFBDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F6S2/c1-15-13-19(17-9-5-3-6-10-17)34-23(15)21-22(26(30,31)27(32,33)25(21,28)29)24-16(2)14-20(35-24)18-11-7-4-8-12-18/h3-14H,1-2H3.
What are the key properties of 2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene?
2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene has a molecular weight of 520.56 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene is sourced from PubChem (CID 101101183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).