2-methyl-5-(trifluoromethyl)-1-benzothiophene

C10H7F3S — CID 58242584

IUPAC2-methyl-5-(trifluoromethyl)-1-benzothiophene
SMILESCc1cc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C10H7F3S/c1-6-4-7-5-8(10(11,12)13)2-3-9(7)14-6/h2-5H,1H3
InChIKeyVZXHLCDOAYOJDG-UHFFFAOYSA-N
MW216.23 g/mol
LogP4.23
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-1-benzothiophene

2-methyl-5-(trifluoromethyl)-1-benzothiophene (PubChem CID 58242584) has the molecular formula C10H7F3S and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1-benzothiophene
PubChem CID58242584
Molecular FormulaC10H7F3S
Molecular Weight216.23 g/mol
Exact Mass216.02
IUPAC Name2-methyl-5-(trifluoromethyl)-1-benzothiophene
SMILESCc1cc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C10H7F3S/c1-6-4-7-5-8(10(11,12)13)2-3-9(7)14-6/h2-5H,1H3
InChIKeyVZXHLCDOAYOJDG-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1-benzothiophene?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1-benzothiophene (CID 58242584) is 2-methyl-5-(trifluoromethyl)-1-benzothiophene.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1-benzothiophene?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1-benzothiophene is Cc1cc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1-benzothiophene?
The InChIKey is VZXHLCDOAYOJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3S/c1-6-4-7-5-8(10(11,12)13)2-3-9(7)14-6/h2-5H,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-1-benzothiophene?
2-methyl-5-(trifluoromethyl)-1-benzothiophene has a molecular weight of 216.23 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1-benzothiophene is sourced from PubChem (CID 58242584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).