trifluoromethyl 5-methylthiophene-2-carboxylate

C7H5F3O2S — CID 130678716

IUPACtrifluoromethyl 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OC(F)(F)F)s1
InChIInChI=1S/C7H5F3O2S/c1-4-2-3-5(13-4)6(11)12-7(8,9)10/h2-3H,1H3
InChIKeyYCZBFTQTXIKBQO-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.73
Rot. Bonds1

About trifluoromethyl 5-methylthiophene-2-carboxylate

trifluoromethyl 5-methylthiophene-2-carboxylate (PubChem CID 130678716) has the molecular formula C7H5F3O2S and a molecular weight of 210.18 g/mol. Its IUPAC name is trifluoromethyl 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 5-methylthiophene-2-carboxylate
PubChem CID130678716
Molecular FormulaC7H5F3O2S
Molecular Weight210.18 g/mol
Exact Mass210.00
IUPAC Nametrifluoromethyl 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OC(F)(F)F)s1
InChIInChI=1S/C7H5F3O2S/c1-4-2-3-5(13-4)6(11)12-7(8,9)10/h2-3H,1H3
InChIKeyYCZBFTQTXIKBQO-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 5-methylthiophene-2-carboxylate?
The IUPAC name of trifluoromethyl 5-methylthiophene-2-carboxylate (CID 130678716) is trifluoromethyl 5-methylthiophene-2-carboxylate.
What is the SMILES notation for trifluoromethyl 5-methylthiophene-2-carboxylate?
The canonical SMILES for trifluoromethyl 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OC(F)(F)F)s1.
What is the InChIKey of trifluoromethyl 5-methylthiophene-2-carboxylate?
The InChIKey is YCZBFTQTXIKBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2S/c1-4-2-3-5(13-4)6(11)12-7(8,9)10/h2-3H,1H3.
What are the key properties of trifluoromethyl 5-methylthiophene-2-carboxylate?
trifluoromethyl 5-methylthiophene-2-carboxylate has a molecular weight of 210.18 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 130678716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).