9-(trifluoromethyl)anthracene

C15H9F3 — CID 14716635

IUPAC9-(trifluoromethyl)anthracene
SMILESFC(F)(F)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H9F3/c16-15(17,18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChIKeyRMHPWQJEUXDWJE-UHFFFAOYSA-N
MW246.23 g/mol
LogP5.01
Rot. Bonds

About 9-(trifluoromethyl)anthracene

9-(trifluoromethyl)anthracene (PubChem CID 14716635) has the molecular formula C15H9F3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 9-(trifluoromethyl)anthracene.

Molecular Properties

Compound Name9-(trifluoromethyl)anthracene
PubChem CID14716635
Molecular FormulaC15H9F3
Molecular Weight246.23 g/mol
Exact Mass246.07
IUPAC Name9-(trifluoromethyl)anthracene
SMILESFC(F)(F)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H9F3/c16-15(17,18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChIKeyRMHPWQJEUXDWJE-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.23
LogP ≤ 55.01
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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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
BENZ(a)ANTHRACENE
CID 5954
7,12-Dimethylbenz(a)anthracene
CID 6001
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Acenaphthylene
CID 9161
Chrysene
CID 9171
1-Methylpyrene
CID 16932

Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)anthracene?
The IUPAC name of 9-(trifluoromethyl)anthracene (CID 14716635) is 9-(trifluoromethyl)anthracene.
What is the SMILES notation for 9-(trifluoromethyl)anthracene?
The canonical SMILES for 9-(trifluoromethyl)anthracene is FC(F)(F)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(trifluoromethyl)anthracene?
The InChIKey is RMHPWQJEUXDWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3/c16-15(17,18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H.
What are the key properties of 9-(trifluoromethyl)anthracene?
9-(trifluoromethyl)anthracene has a molecular weight of 246.23 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)anthracene is sourced from PubChem (CID 14716635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).