2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene

C28H10F8S4 — CID 21131069

IUPAC2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene
SMILESFc1c(F)c(-c2ccc(-c3ccc(-c4c(F)c(F)c(-c5cccs5)c(F)c4F)s3)s2)c(F)c(F)c1-c1cccs1
InChIInChI=1S/C28H10F8S4/c29-21-17(13-3-1-9-37-13)22(30)26(34)19(25(21)33)15-7-5-11(39-15)12-6-8-16(40-12)20-27(35)23(31)18(24(32)28(20)36)14-4-2-10-38-14/h1-10H
InChIKeyAQNKDDUDXUIKKA-UHFFFAOYSA-N
MW626.64 g/mol
LogP11.38
Rot. Bonds5

About 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene

2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene (PubChem CID 21131069) has the molecular formula C28H10F8S4 and a molecular weight of 626.64 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene
PubChem CID21131069
Molecular FormulaC28H10F8S4
Molecular Weight626.64 g/mol
Exact Mass625.95
IUPAC Name2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene
SMILESFc1c(F)c(-c2ccc(-c3ccc(-c4c(F)c(F)c(-c5cccs5)c(F)c4F)s3)s2)c(F)c(F)c1-c1cccs1
InChIInChI=1S/C28H10F8S4/c29-21-17(13-3-1-9-37-13)22(30)26(34)19(25(21)33)15-7-5-11(39-15)12-6-8-16(40-12)20-27(35)23(31)18(24(32)28(20)36)14-4-2-10-38-14/h1-10H
InChIKeyAQNKDDUDXUIKKA-UHFFFAOYSA-N
XLogP11.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.64
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene?
The IUPAC name of 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene (CID 21131069) is 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene is Fc1c(F)c(-c2ccc(-c3ccc(-c4c(F)c(F)c(-c5cccs5)c(F)c4F)s3)s2)c(F)c(F)c1-c1cccs1.
What is the InChIKey of 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene?
The InChIKey is AQNKDDUDXUIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H10F8S4/c29-21-17(13-3-1-9-37-13)22(30)26(34)19(25(21)33)15-7-5-11(39-15)12-6-8-16(40-12)20-27(35)23(31)18(24(32)28(20)36)14-4-2-10-38-14/h1-10H.
What are the key properties of 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene?
2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene has a molecular weight of 626.64 g/mol, XLogP of 11.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene is sourced from PubChem (CID 21131069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).