1-(3,4,5-trifluorophenyl)anthracene

C20H11F3 — CID 87425952

IUPAC1-(3,4,5-trifluorophenyl)anthracene
SMILESFc1cc(-c2cccc3cc4ccccc4cc23)cc(F)c1F
InChIInChI=1S/C20H11F3/c21-18-10-15(11-19(22)20(18)23)16-7-3-6-14-8-12-4-1-2-5-13(12)9-17(14)16/h1-11H
InChIKeyXUGFNXYWFIZOJU-UHFFFAOYSA-N
MW308.30 g/mol
LogP6.08
Rot. Bonds1

About 1-(3,4,5-trifluorophenyl)anthracene

1-(3,4,5-trifluorophenyl)anthracene (PubChem CID 87425952) has the molecular formula C20H11F3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-(3,4,5-trifluorophenyl)anthracene.

Molecular Properties

Compound Name1-(3,4,5-trifluorophenyl)anthracene
PubChem CID87425952
Molecular FormulaC20H11F3
Molecular Weight308.30 g/mol
Exact Mass308.08
IUPAC Name1-(3,4,5-trifluorophenyl)anthracene
SMILESFc1cc(-c2cccc3cc4ccccc4cc23)cc(F)c1F
InChIInChI=1S/C20H11F3/c21-18-10-15(11-19(22)20(18)23)16-7-3-6-14-8-12-4-1-2-5-13(12)9-17(14)16/h1-11H
InChIKeyXUGFNXYWFIZOJU-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.30
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

hydron;1-phenylanthracene
CID 174351162
1-(4-bromophenyl)anthracene
CID 141156344
1-(2-phenylphenyl)anthracene
CID 21435778
4-anthracen-1-ylaniline
CID 18974595
5-anthracen-1-ylbenzene-1,3-dicarboxylic acid
CID 175006474
9,10-di(anthracen-1-yl)anthracene
CID 58645093
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene
CID 145488519
2,6-di(anthracen-1-yl)anthracene-9,10-dione
CID 174779139
4-anthracen-1-ylbenzonitrile
CID 151714314
5-anthracen-1-ylbenzo[a]anthracene
CID 123576317
4-anthracen-1-yl-1H-pyrazole
CID 91120049

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trifluorophenyl)anthracene?
The IUPAC name of 1-(3,4,5-trifluorophenyl)anthracene (CID 87425952) is 1-(3,4,5-trifluorophenyl)anthracene.
What is the SMILES notation for 1-(3,4,5-trifluorophenyl)anthracene?
The canonical SMILES for 1-(3,4,5-trifluorophenyl)anthracene is Fc1cc(-c2cccc3cc4ccccc4cc23)cc(F)c1F.
What is the InChIKey of 1-(3,4,5-trifluorophenyl)anthracene?
The InChIKey is XUGFNXYWFIZOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3/c21-18-10-15(11-19(22)20(18)23)16-7-3-6-14-8-12-4-1-2-5-13(12)9-17(14)16/h1-11H.
What are the key properties of 1-(3,4,5-trifluorophenyl)anthracene?
1-(3,4,5-trifluorophenyl)anthracene has a molecular weight of 308.30 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trifluorophenyl)anthracene is sourced from PubChem (CID 87425952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).