1,4,5-trifluoroanthracene

C14H7F3 — CID 23235862

IUPAC1,4,5-trifluoroanthracene
SMILESFc1cccc2cc3c(F)ccc(F)c3cc12
InChIInChI=1S/C14H7F3/c15-12-3-1-2-8-6-10-11(7-9(8)12)14(17)5-4-13(10)16/h1-7H
InChIKeyWARVGIGGMVNJJV-UHFFFAOYSA-N
MW232.20 g/mol
LogP4.41
Rot. Bonds

About 1,4,5-trifluoroanthracene

1,4,5-trifluoroanthracene (PubChem CID 23235862) has the molecular formula C14H7F3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1,4,5-trifluoroanthracene.

Molecular Properties

Compound Name1,4,5-trifluoroanthracene
PubChem CID23235862
Molecular FormulaC14H7F3
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name1,4,5-trifluoroanthracene
SMILESFc1cccc2cc3c(F)ccc(F)c3cc12
InChIInChI=1S/C14H7F3/c15-12-3-1-2-8-6-10-11(7-9(8)12)14(17)5-4-13(10)16/h1-7H
InChIKeyWARVGIGGMVNJJV-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 54.41
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 1,4,5-trifluoroanthracene?
The IUPAC name of 1,4,5-trifluoroanthracene (CID 23235862) is 1,4,5-trifluoroanthracene.
What is the SMILES notation for 1,4,5-trifluoroanthracene?
The canonical SMILES for 1,4,5-trifluoroanthracene is Fc1cccc2cc3c(F)ccc(F)c3cc12.
What is the InChIKey of 1,4,5-trifluoroanthracene?
The InChIKey is WARVGIGGMVNJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3/c15-12-3-1-2-8-6-10-11(7-9(8)12)14(17)5-4-13(10)16/h1-7H.
What are the key properties of 1,4,5-trifluoroanthracene?
1,4,5-trifluoroanthracene has a molecular weight of 232.20 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trifluoroanthracene is sourced from PubChem (CID 23235862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).