1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene

C17H24F4OS2 — CID 121345363

IUPAC1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene
SMILESCc1cc(C)c(SCCF)cc1OCCCCCCSC(F)(F)F
InChIInChI=1S/C17H24F4OS2/c1-13-11-14(2)16(23-10-7-18)12-15(13)22-8-5-3-4-6-9-24-17(19,20)21/h11-12H,3-10H2,1-2H3
InChIKeyOPAMSWMFQXIQQY-UHFFFAOYSA-N
MW384.50 g/mol
LogP6.56
Rot. Bonds11

About 1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene

1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene (PubChem CID 121345363) has the molecular formula C17H24F4OS2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene.

Molecular Properties

Compound Name1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene
PubChem CID121345363
Molecular FormulaC17H24F4OS2
Molecular Weight384.50 g/mol
Exact Mass384.12
IUPAC Name1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene
SMILESCc1cc(C)c(SCCF)cc1OCCCCCCSC(F)(F)F
InChIInChI=1S/C17H24F4OS2/c1-13-11-14(2)16(23-10-7-18)12-15(13)22-8-5-3-4-6-9-24-17(19,20)21/h11-12H,3-10H2,1-2H3
InChIKeyOPAMSWMFQXIQQY-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene?
The IUPAC name of 1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene (CID 121345363) is 1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene.
What is the SMILES notation for 1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene?
The canonical SMILES for 1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene is Cc1cc(C)c(SCCF)cc1OCCCCCCSC(F)(F)F.
What is the InChIKey of 1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene?
The InChIKey is OPAMSWMFQXIQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F4OS2/c1-13-11-14(2)16(23-10-7-18)12-15(13)22-8-5-3-4-6-9-24-17(19,20)21/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene?
1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene has a molecular weight of 384.50 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethylsulfanyl)-2,4-dimethyl-5-[6-(trifluoromethylsulfanyl)hexoxy]benzene is sourced from PubChem (CID 121345363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).