3-methoxy-2-methyl-5-(trifluoromethyl)thiophene

C7H7F3OS — CID 90260607

IUPAC3-methoxy-2-methyl-5-(trifluoromethyl)thiophene
SMILESCOc1cc(C(F)(F)F)sc1C
InChIInChI=1S/C7H7F3OS/c1-4-5(11-2)3-6(12-4)7(8,9)10/h3H,1-2H3
InChIKeyLDSUHTBEEGEKRT-UHFFFAOYSA-N
MW196.19 g/mol
LogP3.08
Rot. Bonds1

About 3-methoxy-2-methyl-5-(trifluoromethyl)thiophene

3-methoxy-2-methyl-5-(trifluoromethyl)thiophene (PubChem CID 90260607) has the molecular formula C7H7F3OS and a molecular weight of 196.19 g/mol. Its IUPAC name is 3-methoxy-2-methyl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-methoxy-2-methyl-5-(trifluoromethyl)thiophene
PubChem CID90260607
Molecular FormulaC7H7F3OS
Molecular Weight196.19 g/mol
Exact Mass196.02
IUPAC Name3-methoxy-2-methyl-5-(trifluoromethyl)thiophene
SMILESCOc1cc(C(F)(F)F)sc1C
InChIInChI=1S/C7H7F3OS/c1-4-5(11-2)3-6(12-4)7(8,9)10/h3H,1-2H3
InChIKeyLDSUHTBEEGEKRT-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-5-(trifluoromethyl)thiophene?
The IUPAC name of 3-methoxy-2-methyl-5-(trifluoromethyl)thiophene (CID 90260607) is 3-methoxy-2-methyl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-methoxy-2-methyl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 3-methoxy-2-methyl-5-(trifluoromethyl)thiophene is COc1cc(C(F)(F)F)sc1C.
What is the InChIKey of 3-methoxy-2-methyl-5-(trifluoromethyl)thiophene?
The InChIKey is LDSUHTBEEGEKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3OS/c1-4-5(11-2)3-6(12-4)7(8,9)10/h3H,1-2H3.
What are the key properties of 3-methoxy-2-methyl-5-(trifluoromethyl)thiophene?
3-methoxy-2-methyl-5-(trifluoromethyl)thiophene has a molecular weight of 196.19 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 90260607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).