1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene

C28H8F14 — CID 99652908

IUPAC1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene
SMILESFc1c(F)c(F)c2c(-c3ccc(C(F)(F)F)cc3)c3c(F)c(F)c(F)c(F)c3c(-c3ccc(C(F)(F)F)cc3)c2c1F
InChIInChI=1S/C28H8F14/c29-19-15-13(9-1-5-11(6-2-9)27(37,38)39)16-18(22(32)26(36)24(34)20(16)30)14(17(15)21(31)25(35)23(19)33)10-3-7-12(8-4-10)28(40,41)42/h1-8H
InChIKeyFFUQDRYCGMPMRR-UHFFFAOYSA-N
MW610.34 g/mol
LogP10.48
Rot. Bonds2

About 1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene

1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene (PubChem CID 99652908) has the molecular formula C28H8F14 and a molecular weight of 610.34 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene
PubChem CID99652908
Molecular FormulaC28H8F14
Molecular Weight610.34 g/mol
Exact Mass610.04
IUPAC Name1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene
SMILESFc1c(F)c(F)c2c(-c3ccc(C(F)(F)F)cc3)c3c(F)c(F)c(F)c(F)c3c(-c3ccc(C(F)(F)F)cc3)c2c1F
InChIInChI=1S/C28H8F14/c29-19-15-13(9-1-5-11(6-2-9)27(37,38)39)16-18(22(32)26(36)24(34)20(16)30)14(17(15)21(31)25(35)23(19)33)10-3-7-12(8-4-10)28(40,41)42/h1-8H
InChIKeyFFUQDRYCGMPMRR-UHFFFAOYSA-N
XLogP10.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.34
LogP ≤ 510.48
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene (CID 99652908) is 1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene is Fc1c(F)c(F)c2c(-c3ccc(C(F)(F)F)cc3)c3c(F)c(F)c(F)c(F)c3c(-c3ccc(C(F)(F)F)cc3)c2c1F.
What is the InChIKey of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene?
The InChIKey is FFUQDRYCGMPMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H8F14/c29-19-15-13(9-1-5-11(6-2-9)27(37,38)39)16-18(22(32)26(36)24(34)20(16)30)14(17(15)21(31)25(35)23(19)33)10-3-7-12(8-4-10)28(40,41)42/h1-8H.
What are the key properties of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene?
1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 610.34 g/mol, XLogP of 10.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 99652908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).