1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene

C26F20 — CID 134158479

IUPAC1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
SMILESFC1=C(F)C(F)(F)C(F)(F)c2c1c(-c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1c2-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C26F20/c27-9-3-1(6-11(29)18(36)22(40)19(37)12(6)30)5-8(25(43,44)26(45,46)24(42)15(5)33)2(4(3)10(28)17(35)16(9)34)7-13(31)20(38)23(41)21(39)14(7)32
InChIKeyRDJFHDTVVJWVOW-UHFFFAOYSA-N
MW692.25 g/mol
LogP10.47
Rot. Bonds2

About 1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene

1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene (PubChem CID 134158479) has the molecular formula C26F20 and a molecular weight of 692.25 g/mol. Its IUPAC name is 1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene.

Molecular Properties

Compound Name1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
PubChem CID134158479
Molecular FormulaC26F20
Molecular Weight692.25 g/mol
Exact Mass691.97
IUPAC Name1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
SMILESFC1=C(F)C(F)(F)C(F)(F)c2c1c(-c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1c2-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C26F20/c27-9-3-1(6-11(29)18(36)22(40)19(37)12(6)30)5-8(25(43,44)26(45,46)24(42)15(5)33)2(4(3)10(28)17(35)16(9)34)7-13(31)20(38)23(41)21(39)14(7)32
InChIKeyRDJFHDTVVJWVOW-UHFFFAOYSA-N
XLogP10.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.25
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene?
The IUPAC name of 1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene (CID 134158479) is 1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene.
What is the SMILES notation for 1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene?
The canonical SMILES for 1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene is FC1=C(F)C(F)(F)C(F)(F)c2c1c(-c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1c2-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene?
The InChIKey is RDJFHDTVVJWVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26F20/c27-9-3-1(6-11(29)18(36)22(40)19(37)12(6)30)5-8(25(43,44)26(45,46)24(42)15(5)33)2(4(3)10(28)17(35)16(9)34)7-13(31)20(38)23(41)21(39)14(7)32.
What are the key properties of 1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene?
1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene has a molecular weight of 692.25 g/mol, XLogP of 10.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene is sourced from PubChem (CID 134158479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).