2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene

C32H25F11S5 — CID 58273168

IUPAC2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCC(F)(F)CC(F)(F)Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CC(F)(F)CC(F)(F)CC(F)(F)F)s5)s4)s3)s2)s1
InChIInChI=1S/C32H25F11S5/c1-2-28(33,34)15-29(35,36)13-18-3-5-20(44-18)22-7-9-24(46-22)26-11-12-27(48-26)25-10-8-23(47-25)21-6-4-19(45-21)14-30(37,38)16-31(39,40)17-32(41,42)43/h3-12H,2,13-17H2,1H3
InChIKeyFJYWLXRQLZOCNI-UHFFFAOYSA-N
MW778.87 g/mol
LogP14.43
Rot. Bonds14

About 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene

2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 58273168) has the molecular formula C32H25F11S5 and a molecular weight of 778.87 g/mol. Its IUPAC name is 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID58273168
Molecular FormulaC32H25F11S5
Molecular Weight778.87 g/mol
Exact Mass778.04
IUPAC Name2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCC(F)(F)CC(F)(F)Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CC(F)(F)CC(F)(F)CC(F)(F)F)s5)s4)s3)s2)s1
InChIInChI=1S/C32H25F11S5/c1-2-28(33,34)15-29(35,36)13-18-3-5-20(44-18)22-7-9-24(46-22)26-11-12-27(48-26)25-10-8-23(47-25)21-6-4-19(45-21)14-30(37,38)16-31(39,40)17-32(41,42)43/h3-12H,2,13-17H2,1H3
InChIKeyFJYWLXRQLZOCNI-UHFFFAOYSA-N
XLogP14.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.87
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene (CID 58273168) is 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene is CCC(F)(F)CC(F)(F)Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CC(F)(F)CC(F)(F)CC(F)(F)F)s5)s4)s3)s2)s1.
What is the InChIKey of 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is FJYWLXRQLZOCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F11S5/c1-2-28(33,34)15-29(35,36)13-18-3-5-20(44-18)22-7-9-24(46-22)26-11-12-27(48-26)25-10-8-23(47-25)21-6-4-19(45-21)14-30(37,38)16-31(39,40)17-32(41,42)43/h3-12H,2,13-17H2,1H3.
What are the key properties of 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene?
2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 778.87 g/mol, XLogP of 14.43, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(2,2,4,4,6,6,6-heptafluorohexyl)thiophen-2-yl]thiophen-2-yl]-5-[5-[5-(2,2,4,4-tetrafluorohexyl)thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 58273168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).