9-(trifluoromethylsulfanyl)phenanthrene

C15H9F3S — CID 162410748

IUPAC9-(trifluoromethylsulfanyl)phenanthrene
SMILESFC(F)(F)Sc1cc2ccccc2c2ccccc12
InChIInChI=1S/C15H9F3S/c16-15(17,18)19-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKeyWWYJDXNPBPMBGS-UHFFFAOYSA-N
MW278.30 g/mol
LogP5.60
Rot. Bonds1

About 9-(trifluoromethylsulfanyl)phenanthrene

9-(trifluoromethylsulfanyl)phenanthrene (PubChem CID 162410748) has the molecular formula C15H9F3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 9-(trifluoromethylsulfanyl)phenanthrene.

Molecular Properties

Compound Name9-(trifluoromethylsulfanyl)phenanthrene
PubChem CID162410748
Molecular FormulaC15H9F3S
Molecular Weight278.30 g/mol
Exact Mass278.04
IUPAC Name9-(trifluoromethylsulfanyl)phenanthrene
SMILESFC(F)(F)Sc1cc2ccccc2c2ccccc12
InChIInChI=1S/C15H9F3S/c16-15(17,18)19-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKeyWWYJDXNPBPMBGS-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.30
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-(trifluoromethylsulfanyl)phenanthrene?
The IUPAC name of 9-(trifluoromethylsulfanyl)phenanthrene (CID 162410748) is 9-(trifluoromethylsulfanyl)phenanthrene.
What is the SMILES notation for 9-(trifluoromethylsulfanyl)phenanthrene?
The canonical SMILES for 9-(trifluoromethylsulfanyl)phenanthrene is FC(F)(F)Sc1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-(trifluoromethylsulfanyl)phenanthrene?
The InChIKey is WWYJDXNPBPMBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3S/c16-15(17,18)19-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H.
What are the key properties of 9-(trifluoromethylsulfanyl)phenanthrene?
9-(trifluoromethylsulfanyl)phenanthrene has a molecular weight of 278.30 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethylsulfanyl)phenanthrene is sourced from PubChem (CID 162410748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).