1,3-dichloro-6-(trifluoromethyl)phenanthrene

C15H7Cl2F3 — CID 54512088

IUPAC1,3-dichloro-6-(trifluoromethyl)phenanthrene
SMILESFC(F)(F)c1ccc2ccc3c(Cl)cc(Cl)cc3c2c1
InChIInChI=1S/C15H7Cl2F3/c16-10-6-13-11(14(17)7-10)4-2-8-1-3-9(5-12(8)13)15(18,19)20/h1-7H
InChIKeyUHYICBJMHPPXBF-UHFFFAOYSA-N
MW315.12 g/mol
LogP6.32
Rot. Bonds

About 1,3-dichloro-6-(trifluoromethyl)phenanthrene

1,3-dichloro-6-(trifluoromethyl)phenanthrene (PubChem CID 54512088) has the molecular formula C15H7Cl2F3 and a molecular weight of 315.12 g/mol. Its IUPAC name is 1,3-dichloro-6-(trifluoromethyl)phenanthrene.

Molecular Properties

Compound Name1,3-dichloro-6-(trifluoromethyl)phenanthrene
PubChem CID54512088
Molecular FormulaC15H7Cl2F3
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name1,3-dichloro-6-(trifluoromethyl)phenanthrene
SMILESFC(F)(F)c1ccc2ccc3c(Cl)cc(Cl)cc3c2c1
InChIInChI=1S/C15H7Cl2F3/c16-10-6-13-11(14(17)7-10)4-2-8-1-3-9(5-12(8)13)15(18,19)20/h1-7H
InChIKeyUHYICBJMHPPXBF-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.12
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-6-(trifluoromethyl)phenanthrene?
The IUPAC name of 1,3-dichloro-6-(trifluoromethyl)phenanthrene (CID 54512088) is 1,3-dichloro-6-(trifluoromethyl)phenanthrene.
What is the SMILES notation for 1,3-dichloro-6-(trifluoromethyl)phenanthrene?
The canonical SMILES for 1,3-dichloro-6-(trifluoromethyl)phenanthrene is FC(F)(F)c1ccc2ccc3c(Cl)cc(Cl)cc3c2c1.
What is the InChIKey of 1,3-dichloro-6-(trifluoromethyl)phenanthrene?
The InChIKey is UHYICBJMHPPXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F3/c16-10-6-13-11(14(17)7-10)4-2-8-1-3-9(5-12(8)13)15(18,19)20/h1-7H.
What are the key properties of 1,3-dichloro-6-(trifluoromethyl)phenanthrene?
1,3-dichloro-6-(trifluoromethyl)phenanthrene has a molecular weight of 315.12 g/mol, XLogP of 6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-6-(trifluoromethyl)phenanthrene is sourced from PubChem (CID 54512088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).