1-phenoxy-4-(trifluoromethylsulfanyl)benzene

C13H9F3OS — CID 54015726

IUPAC1-phenoxy-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H9F3OS/c14-13(15,16)18-12-8-6-11(7-9-12)17-10-4-2-1-3-5-10/h1-9H
InChIKeyADYYHQIPQJIZQM-UHFFFAOYSA-N
MW270.28 g/mol
LogP5.09
Rot. Bonds3

About 1-phenoxy-4-(trifluoromethylsulfanyl)benzene

1-phenoxy-4-(trifluoromethylsulfanyl)benzene (PubChem CID 54015726) has the molecular formula C13H9F3OS and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-phenoxy-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-phenoxy-4-(trifluoromethylsulfanyl)benzene
PubChem CID54015726
Molecular FormulaC13H9F3OS
Molecular Weight270.28 g/mol
Exact Mass270.03
IUPAC Name1-phenoxy-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H9F3OS/c14-13(15,16)18-12-8-6-11(7-9-12)17-10-4-2-1-3-5-10/h1-9H
InChIKeyADYYHQIPQJIZQM-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.28
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-phenoxy-4-(trifluoromethylsulfanyl)benzene (CID 54015726) is 1-phenoxy-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-phenoxy-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-phenoxy-4-(trifluoromethylsulfanyl)benzene is FC(F)(F)Sc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-phenoxy-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is ADYYHQIPQJIZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3OS/c14-13(15,16)18-12-8-6-11(7-9-12)17-10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-phenoxy-4-(trifluoromethylsulfanyl)benzene?
1-phenoxy-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 270.28 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 54015726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).