9-phenyl-10-(trifluoromethyl)anthracene

C21H13F3 — CID 629496

IUPAC9-phenyl-10-(trifluoromethyl)anthracene
SMILESFC(F)(F)c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H13F3/c22-21(23,24)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
InChIKeyRUCWMLJHSJRWBL-UHFFFAOYSA-N
MW322.33 g/mol
LogP6.68
Rot. Bonds1

About 9-phenyl-10-(trifluoromethyl)anthracene

9-phenyl-10-(trifluoromethyl)anthracene (PubChem CID 629496) has the molecular formula C21H13F3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 9-phenyl-10-(trifluoromethyl)anthracene.

Molecular Properties

Compound Name9-phenyl-10-(trifluoromethyl)anthracene
PubChem CID629496
Molecular FormulaC21H13F3
Molecular Weight322.33 g/mol
Exact Mass322.10
IUPAC Name9-phenyl-10-(trifluoromethyl)anthracene
SMILESFC(F)(F)c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H13F3/c22-21(23,24)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
InChIKeyRUCWMLJHSJRWBL-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.33
LogP ≤ 56.68
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-phenyl-10-(trifluoromethyl)anthracene?
The IUPAC name of 9-phenyl-10-(trifluoromethyl)anthracene (CID 629496) is 9-phenyl-10-(trifluoromethyl)anthracene.
What is the SMILES notation for 9-phenyl-10-(trifluoromethyl)anthracene?
The canonical SMILES for 9-phenyl-10-(trifluoromethyl)anthracene is FC(F)(F)c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 9-phenyl-10-(trifluoromethyl)anthracene?
The InChIKey is RUCWMLJHSJRWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3/c22-21(23,24)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H.
What are the key properties of 9-phenyl-10-(trifluoromethyl)anthracene?
9-phenyl-10-(trifluoromethyl)anthracene has a molecular weight of 322.33 g/mol, XLogP of 6.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-(trifluoromethyl)anthracene is sourced from PubChem (CID 629496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).