9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene

C26H13F5 — CID 87425597

IUPAC9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3F)c3cc(F)ccc23)c(F)c1
InChIInChI=1S/C26H13F5/c27-14-5-8-19-22(11-14)26(21-10-7-16(29)13-24(21)31)18-4-2-1-3-17(18)25(19)20-9-6-15(28)12-23(20)30/h1-13H
InChIKeyBZAKOILWIXRLHE-UHFFFAOYSA-N
MW420.38 g/mol
LogP8.02
Rot. Bonds2

About 9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene

9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene (PubChem CID 87425597) has the molecular formula C26H13F5 and a molecular weight of 420.38 g/mol. Its IUPAC name is 9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene.

Molecular Properties

Compound Name9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
PubChem CID87425597
Molecular FormulaC26H13F5
Molecular Weight420.38 g/mol
Exact Mass420.09
IUPAC Name9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3F)c3cc(F)ccc23)c(F)c1
InChIInChI=1S/C26H13F5/c27-14-5-8-19-22(11-14)26(21-10-7-16(29)13-24(21)31)18-4-2-1-3-17(18)25(19)20-9-6-15(28)12-23(20)30/h1-13H
InChIKeyBZAKOILWIXRLHE-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.38
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene?
The IUPAC name of 9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene (CID 87425597) is 9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene.
What is the SMILES notation for 9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene?
The canonical SMILES for 9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene is Fc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3F)c3cc(F)ccc23)c(F)c1.
What is the InChIKey of 9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene?
The InChIKey is BZAKOILWIXRLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13F5/c27-14-5-8-19-22(11-14)26(21-10-7-16(29)13-24(21)31)18-4-2-1-3-17(18)25(19)20-9-6-15(28)12-23(20)30/h1-13H.
What are the key properties of 9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene?
9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene has a molecular weight of 420.38 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene is sourced from PubChem (CID 87425597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).