2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene

C26H9F9 — CID 87425635

IUPAC2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene
SMILESFc1ccc2c(-c3c(F)c(F)cc(F)c3F)c3ccccc3c(-c3c(F)c(F)cc(F)c3F)c2c1
InChIInChI=1S/C26H9F9/c27-10-5-6-13-14(7-10)20(22-25(34)17(30)9-18(31)26(22)35)12-4-2-1-3-11(12)19(13)21-23(32)15(28)8-16(29)24(21)33/h1-9H
InChIKeyIPUXYDIRBQJTFR-UHFFFAOYSA-N
MW492.34 g/mol
LogP8.58
Rot. Bonds2

About 2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene

2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene (PubChem CID 87425635) has the molecular formula C26H9F9 and a molecular weight of 492.34 g/mol. Its IUPAC name is 2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene.

Molecular Properties

Compound Name2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene
PubChem CID87425635
Molecular FormulaC26H9F9
Molecular Weight492.34 g/mol
Exact Mass492.06
IUPAC Name2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene
SMILESFc1ccc2c(-c3c(F)c(F)cc(F)c3F)c3ccccc3c(-c3c(F)c(F)cc(F)c3F)c2c1
InChIInChI=1S/C26H9F9/c27-10-5-6-13-14(7-10)20(22-25(34)17(30)9-18(31)26(22)35)12-4-2-1-3-11(12)19(13)21-23(32)15(28)8-16(29)24(21)33/h1-9H
InChIKeyIPUXYDIRBQJTFR-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.34
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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 2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene?
The IUPAC name of 2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene (CID 87425635) is 2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene.
What is the SMILES notation for 2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene?
The canonical SMILES for 2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene is Fc1ccc2c(-c3c(F)c(F)cc(F)c3F)c3ccccc3c(-c3c(F)c(F)cc(F)c3F)c2c1.
What is the InChIKey of 2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene?
The InChIKey is IPUXYDIRBQJTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H9F9/c27-10-5-6-13-14(7-10)20(22-25(34)17(30)9-18(31)26(22)35)12-4-2-1-3-11(12)19(13)21-23(32)15(28)8-16(29)24(21)33/h1-9H.
What are the key properties of 2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene?
2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene has a molecular weight of 492.34 g/mol, XLogP of 8.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene is sourced from PubChem (CID 87425635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).