3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene

C10H10F4OS — CID 164891294

IUPAC3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene
SMILESCCOc1c(C(F)(F)F)ccc(SC)c1F
InChIInChI=1S/C10H10F4OS/c1-3-15-9-6(10(12,13)14)4-5-7(16-2)8(9)11/h4-5H,3H2,1-2H3
InChIKeyMYBQFPCBBULENW-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.97
Rot. Bonds3

About 3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene

3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene (PubChem CID 164891294) has the molecular formula C10H10F4OS and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene
PubChem CID164891294
Molecular FormulaC10H10F4OS
Molecular Weight254.25 g/mol
Exact Mass254.04
IUPAC Name3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene
SMILESCCOc1c(C(F)(F)F)ccc(SC)c1F
InChIInChI=1S/C10H10F4OS/c1-3-15-9-6(10(12,13)14)4-5-7(16-2)8(9)11/h4-5H,3H2,1-2H3
InChIKeyMYBQFPCBBULENW-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene (CID 164891294) is 3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene is CCOc1c(C(F)(F)F)ccc(SC)c1F.
What is the InChIKey of 3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene?
The InChIKey is MYBQFPCBBULENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4OS/c1-3-15-9-6(10(12,13)14)4-5-7(16-2)8(9)11/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene?
3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene has a molecular weight of 254.25 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 164891294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).