7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran

C11H9F3OS — CID 134837964

IUPAC7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran
SMILESCSc1oc2c(C)cccc2c1C(F)(F)F
InChIInChI=1S/C11H9F3OS/c1-6-4-3-5-7-8(11(12,13)14)10(16-2)15-9(6)7/h3-5H,1-2H3
InChIKeyMFSDLCKIPLMUSL-UHFFFAOYSA-N
MW246.25 g/mol
LogP4.48
Rot. Bonds1

About 7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran

7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran (PubChem CID 134837964) has the molecular formula C11H9F3OS and a molecular weight of 246.25 g/mol. Its IUPAC name is 7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran
PubChem CID134837964
Molecular FormulaC11H9F3OS
Molecular Weight246.25 g/mol
Exact Mass246.03
IUPAC Name7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran
SMILESCSc1oc2c(C)cccc2c1C(F)(F)F
InChIInChI=1S/C11H9F3OS/c1-6-4-3-5-7-8(11(12,13)14)10(16-2)15-9(6)7/h3-5H,1-2H3
InChIKeyMFSDLCKIPLMUSL-UHFFFAOYSA-N
XLogP4.48
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran (CID 134837964) is 7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran is CSc1oc2c(C)cccc2c1C(F)(F)F.
What is the InChIKey of 7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran?
The InChIKey is MFSDLCKIPLMUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3OS/c1-6-4-3-5-7-8(11(12,13)14)10(16-2)15-9(6)7/h3-5H,1-2H3.
What are the key properties of 7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran?
7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran has a molecular weight of 246.25 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-methylsulfanyl-3-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 134837964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).