1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene

C24F18S — CID 87931007

IUPAC1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(Sc3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24F18S/c25-5-1(6(26)14(34)17(37)13(5)33)3-9(29)19(39)23(20(40)10(3)30)43-24-21(41)11(31)4(12(32)22(24)42)2-7(27)15(35)18(38)16(36)8(2)28
InChIKeyKPBDRYDJYVLJBR-UHFFFAOYSA-N
MW662.29 g/mol
LogP9.68
Rot. Bonds4

About 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene (PubChem CID 87931007) has the molecular formula C24F18S and a molecular weight of 662.29 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene
PubChem CID87931007
Molecular FormulaC24F18S
Molecular Weight662.29 g/mol
Exact Mass661.94
IUPAC Name1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(Sc3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24F18S/c25-5-1(6(26)14(34)17(37)13(5)33)3-9(29)19(39)23(20(40)10(3)30)43-24-21(41)11(31)4(12(32)22(24)42)2-7(27)15(35)18(38)16(36)8(2)28
InChIKeyKPBDRYDJYVLJBR-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.29
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene (CID 87931007) is 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene is Fc1c(F)c(F)c(-c2c(F)c(F)c(Sc3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene?
The InChIKey is KPBDRYDJYVLJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24F18S/c25-5-1(6(26)14(34)17(37)13(5)33)3-9(29)19(39)23(20(40)10(3)30)43-24-21(41)11(31)4(12(32)22(24)42)2-7(27)15(35)18(38)16(36)8(2)28.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene?
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene has a molecular weight of 662.29 g/mol, XLogP of 9.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene is sourced from PubChem (CID 87931007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).