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

C33H22F6S6 — CID 21044685

IUPAC2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene
SMILESCc1ccc(-c2ccc(-c3cc(C)c(C4=C(c5sc(-c6ccc(-c7ccc(C)s7)s6)cc5C)C(F)(F)C(F)(F)C4(F)F)s3)s2)s1
InChIInChI=1S/C33H22F6S6/c1-15-13-25(23-11-9-21(42-23)19-7-5-17(3)40-19)44-29(15)27-28(32(36,37)33(38,39)31(27,34)35)30-16(2)14-26(45-30)24-12-10-22(43-24)20-8-6-18(4)41-20/h5-14H,1-4H3
InChIKeyMOMBBFSBDDYXOS-UHFFFAOYSA-N
MW724.93 g/mol
LogP13.79
Rot. Bonds6

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

2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene (PubChem CID 21044685) has the molecular formula C33H22F6S6 and a molecular weight of 724.93 g/mol. Its IUPAC name is 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene
PubChem CID21044685
Molecular FormulaC33H22F6S6
Molecular Weight724.93 g/mol
Exact Mass723.99
IUPAC Name2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene
SMILESCc1ccc(-c2ccc(-c3cc(C)c(C4=C(c5sc(-c6ccc(-c7ccc(C)s7)s6)cc5C)C(F)(F)C(F)(F)C4(F)F)s3)s2)s1
InChIInChI=1S/C33H22F6S6/c1-15-13-25(23-11-9-21(42-23)19-7-5-17(3)40-19)44-29(15)27-28(32(36,37)33(38,39)31(27,34)35)30-16(2)14-26(45-30)24-12-10-22(43-24)20-8-6-18(4)41-20/h5-14H,1-4H3
InChIKeyMOMBBFSBDDYXOS-UHFFFAOYSA-N
XLogP13.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.93
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene?
The IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene (CID 21044685) is 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene is Cc1ccc(-c2ccc(-c3cc(C)c(C4=C(c5sc(-c6ccc(-c7ccc(C)s7)s6)cc5C)C(F)(F)C(F)(F)C4(F)F)s3)s2)s1.
What is the InChIKey of 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene?
The InChIKey is MOMBBFSBDDYXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F6S6/c1-15-13-25(23-11-9-21(42-23)19-7-5-17(3)40-19)44-29(15)27-28(32(36,37)33(38,39)31(27,34)35)30-16(2)14-26(45-30)24-12-10-22(43-24)20-8-6-18(4)41-20/h5-14H,1-4H3.
What are the key properties of 2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene?
2-[3,3,4,4,5,5-hexafluoro-2-[3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene has a molecular weight of 724.93 g/mol, XLogP of 13.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]cyclopenten-1-yl]-3-methyl-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 21044685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).