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

C28H8F10S4 — CID 21131073

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESFc1c(F)c(F)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6c(F)c(F)c(F)c(F)c6F)s5)s4)s3)s2)c(F)c1F
InChIInChI=1S/C28H8F10S4/c29-19-17(20(30)24(34)27(37)23(19)33)15-7-5-13(41-15)11-3-1-9(39-11)10-2-4-12(40-10)14-6-8-16(42-14)18-21(31)25(35)28(38)26(36)22(18)32/h1-8H
InChIKeyCPCYRHXNGWLCAC-UHFFFAOYSA-N
MW662.62 g/mol
LogP11.66
Rot. Bonds5

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

2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 21131073) has the molecular formula C28H8F10S4 and a molecular weight of 662.62 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID21131073
Molecular FormulaC28H8F10S4
Molecular Weight662.62 g/mol
Exact Mass661.93
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESFc1c(F)c(F)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6c(F)c(F)c(F)c(F)c6F)s5)s4)s3)s2)c(F)c1F
InChIInChI=1S/C28H8F10S4/c29-19-17(20(30)24(34)27(37)23(19)33)15-7-5-13(41-15)11-3-1-9(39-11)10-2-4-12(40-10)14-6-8-16(42-14)18-21(31)25(35)28(38)26(36)22(18)32/h1-8H
InChIKeyCPCYRHXNGWLCAC-UHFFFAOYSA-N
XLogP11.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.62
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 21131073) is 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is Fc1c(F)c(F)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6c(F)c(F)c(F)c(F)c6F)s5)s4)s3)s2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is CPCYRHXNGWLCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H8F10S4/c29-19-17(20(30)24(34)27(37)23(19)33)15-7-5-13(41-15)11-3-1-9(39-11)10-2-4-12(40-10)14-6-8-16(42-14)18-21(31)25(35)28(38)26(36)22(18)32/h1-8H.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 662.62 g/mol, XLogP of 11.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 21131073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).