2-(trifluoromethyl)phenanthrene

C15H9F3 — CID 91249605

IUPAC2-(trifluoromethyl)phenanthrene
SMILESFC(F)(F)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C15H9F3/c16-15(17,18)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H
InChIKeyRFYQVKWVPKAERV-UHFFFAOYSA-N
MW246.23 g/mol
LogP5.01
Rot. Bonds

About 2-(trifluoromethyl)phenanthrene

2-(trifluoromethyl)phenanthrene (PubChem CID 91249605) has the molecular formula C15H9F3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(trifluoromethyl)phenanthrene.

Molecular Properties

Compound Name2-(trifluoromethyl)phenanthrene
PubChem CID91249605
Molecular FormulaC15H9F3
Molecular Weight246.23 g/mol
Exact Mass246.07
IUPAC Name2-(trifluoromethyl)phenanthrene
SMILESFC(F)(F)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C15H9F3/c16-15(17,18)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H
InChIKeyRFYQVKWVPKAERV-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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)phenanthrene?
The IUPAC name of 2-(trifluoromethyl)phenanthrene (CID 91249605) is 2-(trifluoromethyl)phenanthrene.
What is the SMILES notation for 2-(trifluoromethyl)phenanthrene?
The canonical SMILES for 2-(trifluoromethyl)phenanthrene is FC(F)(F)c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of 2-(trifluoromethyl)phenanthrene?
The InChIKey is RFYQVKWVPKAERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3/c16-15(17,18)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H.
What are the key properties of 2-(trifluoromethyl)phenanthrene?
2-(trifluoromethyl)phenanthrene 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 2-(trifluoromethyl)phenanthrene is sourced from PubChem (CID 91249605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).