1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene

C15H13F3OS — CID 71232059

IUPAC1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(CCOc2ccccc2)cc1
InChIInChI=1S/C15H13F3OS/c16-15(17,18)20-14-8-6-12(7-9-14)10-11-19-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyWRLCTROYIIMSJY-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.92
Rot. Bonds5

About 1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene

1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene (PubChem CID 71232059) has the molecular formula C15H13F3OS and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene
PubChem CID71232059
Molecular FormulaC15H13F3OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC Name1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(CCOc2ccccc2)cc1
InChIInChI=1S/C15H13F3OS/c16-15(17,18)20-14-8-6-12(7-9-14)10-11-19-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyWRLCTROYIIMSJY-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
[4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium
CID 134222875
1-(bromomethyl)-4-(2-phenoxyethyl)benzene
CID 174666948
bis[4-(2-phenoxyethyl)phenyl]iodanium
CID 178069647
1-(4-phenoxybutyl)-4-(trifluoromethyl)benzene
CID 91038022
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
3-[4-(trifluoromethylsulfanyl)phenyl]propyl formate
CID 91576454
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
CID 79403925

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene (CID 71232059) is 1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene is FC(F)(F)Sc1ccc(CCOc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is WRLCTROYIIMSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3OS/c16-15(17,18)20-14-8-6-12(7-9-14)10-11-19-13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of 1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene?
1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 298.33 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 71232059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).