2,5-dimethyl-3-(trifluoromethoxy)thiophene

C7H7F3OS — CID 58153016

IUPAC2,5-dimethyl-3-(trifluoromethoxy)thiophene
SMILESCc1cc(OC(F)(F)F)c(C)s1
InChIInChI=1S/C7H7F3OS/c1-4-3-6(5(2)12-4)11-7(8,9)10/h3H,1-2H3
InChIKeyQTBLROXWIYLFJL-UHFFFAOYSA-N
MW196.19 g/mol
LogP3.26
Rot. Bonds1

About 2,5-dimethyl-3-(trifluoromethoxy)thiophene

2,5-dimethyl-3-(trifluoromethoxy)thiophene (PubChem CID 58153016) has the molecular formula C7H7F3OS and a molecular weight of 196.19 g/mol. Its IUPAC name is 2,5-dimethyl-3-(trifluoromethoxy)thiophene.

Molecular Properties

Compound Name2,5-dimethyl-3-(trifluoromethoxy)thiophene
PubChem CID58153016
Molecular FormulaC7H7F3OS
Molecular Weight196.19 g/mol
Exact Mass196.02
IUPAC Name2,5-dimethyl-3-(trifluoromethoxy)thiophene
SMILESCc1cc(OC(F)(F)F)c(C)s1
InChIInChI=1S/C7H7F3OS/c1-4-3-6(5(2)12-4)11-7(8,9)10/h3H,1-2H3
InChIKeyQTBLROXWIYLFJL-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(trifluoromethoxy)thiophene?
The IUPAC name of 2,5-dimethyl-3-(trifluoromethoxy)thiophene (CID 58153016) is 2,5-dimethyl-3-(trifluoromethoxy)thiophene.
What is the SMILES notation for 2,5-dimethyl-3-(trifluoromethoxy)thiophene?
The canonical SMILES for 2,5-dimethyl-3-(trifluoromethoxy)thiophene is Cc1cc(OC(F)(F)F)c(C)s1.
What is the InChIKey of 2,5-dimethyl-3-(trifluoromethoxy)thiophene?
The InChIKey is QTBLROXWIYLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3OS/c1-4-3-6(5(2)12-4)11-7(8,9)10/h3H,1-2H3.
What are the key properties of 2,5-dimethyl-3-(trifluoromethoxy)thiophene?
2,5-dimethyl-3-(trifluoromethoxy)thiophene has a molecular weight of 196.19 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(trifluoromethoxy)thiophene is sourced from PubChem (CID 58153016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).