1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene

C11H13F3S — CID 91876365

IUPAC1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene
SMILESCCSc1cc(CC)cc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3S/c1-3-8-5-9(11(12,13)14)7-10(6-8)15-4-2/h5-7H,3-4H2,1-2H3
InChIKeyCFGKULNBNIDLKC-UHFFFAOYSA-N
MW234.29 g/mol
LogP4.38
Rot. Bonds3

About 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene

1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene (PubChem CID 91876365) has the molecular formula C11H13F3S and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene
PubChem CID91876365
Molecular FormulaC11H13F3S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene
SMILESCCSc1cc(CC)cc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3S/c1-3-8-5-9(11(12,13)14)7-10(6-8)15-4-2/h5-7H,3-4H2,1-2H3
InChIKeyCFGKULNBNIDLKC-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene (CID 91876365) is 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene is CCSc1cc(CC)cc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene?
The InChIKey is CFGKULNBNIDLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3S/c1-3-8-5-9(11(12,13)14)7-10(6-8)15-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene?
1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene has a molecular weight of 234.29 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 91876365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).