2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C36H12F26S6 — CID 18506317

IUPAC2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccsc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5sccc5C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s4)s3)s2)s1
InChIInChI=1S/C36H12F26S6/c37-25(38,27(41,42)29(45,46)31(49,50)33(53,54)35(57,58)59)13-9-11-63-23(13)21-7-5-19(67-21)17-3-1-15(65-17)16-2-4-18(66-16)20-6-8-22(68-20)24-14(10-12-64-24)26(39,40)28(43,44)30(47,48)32(51,52)34(55,56)36(60,61)62/h1-12H
InChIKeyQDAHOSTYSNDVTF-UHFFFAOYSA-N
MW1130.84 g/mol
LogP18.78
Rot. Bonds15

About 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 18506317) has the molecular formula C36H12F26S6 and a molecular weight of 1130.84 g/mol. Its IUPAC name is 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID18506317
Molecular FormulaC36H12F26S6
Molecular Weight1130.84 g/mol
Exact Mass1129.88
IUPAC Name2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccsc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5sccc5C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s4)s3)s2)s1
InChIInChI=1S/C36H12F26S6/c37-25(38,27(41,42)29(45,46)31(49,50)33(53,54)35(57,58)59)13-9-11-63-23(13)21-7-5-19(67-21)17-3-1-15(65-17)16-2-4-18(66-16)20-6-8-22(68-20)24-14(10-12-64-24)26(39,40)28(43,44)30(47,48)32(51,52)34(55,56)36(60,61)62/h1-12H
InChIKeyQDAHOSTYSNDVTF-UHFFFAOYSA-N
XLogP18.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.84
LogP ≤ 518.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 18506317) is 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccsc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5sccc5C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s4)s3)s2)s1.
What is the InChIKey of 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is QDAHOSTYSNDVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H12F26S6/c37-25(38,27(41,42)29(45,46)31(49,50)33(53,54)35(57,58)59)13-9-11-63-23(13)21-7-5-19(67-21)17-3-1-15(65-17)16-2-4-18(66-16)20-6-8-22(68-20)24-14(10-12-64-24)26(39,40)28(43,44)30(47,48)32(51,52)34(55,56)36(60,61)62/h1-12H.
What are the key properties of 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 1130.84 g/mol, XLogP of 18.78, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-5-[5-[5-[5-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 18506317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).