propyl 4-(trifluoromethyl)thiophene-2-carboxylate

C9H9F3O2S — CID 18434668

IUPACpropyl 4-(trifluoromethyl)thiophene-2-carboxylate
SMILESCCCOC(=O)c1cc(C(F)(F)F)cs1
InChIInChI=1S/C9H9F3O2S/c1-2-3-14-8(13)7-4-6(5-15-7)9(10,11)12/h4-5H,2-3H2,1H3
InChIKeyRZXWYEWBCZUQNM-UHFFFAOYSA-N
MW238.23 g/mol
LogP3.33
Rot. Bonds3

About propyl 4-(trifluoromethyl)thiophene-2-carboxylate

propyl 4-(trifluoromethyl)thiophene-2-carboxylate (PubChem CID 18434668) has the molecular formula C9H9F3O2S and a molecular weight of 238.23 g/mol. Its IUPAC name is propyl 4-(trifluoromethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namepropyl 4-(trifluoromethyl)thiophene-2-carboxylate
PubChem CID18434668
Molecular FormulaC9H9F3O2S
Molecular Weight238.23 g/mol
Exact Mass238.03
IUPAC Namepropyl 4-(trifluoromethyl)thiophene-2-carboxylate
SMILESCCCOC(=O)c1cc(C(F)(F)F)cs1
InChIInChI=1S/C9H9F3O2S/c1-2-3-14-8(13)7-4-6(5-15-7)9(10,11)12/h4-5H,2-3H2,1H3
InChIKeyRZXWYEWBCZUQNM-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-hydroxy-3,5-bis(trifluoromethyl)benzoate
CID 139980821
butyl 4-hydroxythiophene-2-carboxylate
CID 172999954
CID 21262185
CID 21262185
propyl 2-amino-5-(trifluoromethyl)benzoate
CID 66270281
propyl 3,5-ditert-butylbenzoate
CID 70182189
ethyl 4-(bromomethyl)thiophene-2-carboxylate
CID 18789514
propyl 2-(methylamino)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 54305610
propyl 3-chloro-1,2-thiazole-5-carboxylate
CID 150025641
propyl 4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycarbonylphenyl)propan-2-yl]benzoate
CID 139710752
propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858
icosyl 2,5-bis(trifluoromethyl)benzoate
CID 91737728
heptadecyl 2,5-bis(trifluoromethyl)benzoate
CID 91737732

Frequently Asked Questions

What is the IUPAC name of propyl 4-(trifluoromethyl)thiophene-2-carboxylate?
The IUPAC name of propyl 4-(trifluoromethyl)thiophene-2-carboxylate (CID 18434668) is propyl 4-(trifluoromethyl)thiophene-2-carboxylate.
What is the SMILES notation for propyl 4-(trifluoromethyl)thiophene-2-carboxylate?
The canonical SMILES for propyl 4-(trifluoromethyl)thiophene-2-carboxylate is CCCOC(=O)c1cc(C(F)(F)F)cs1.
What is the InChIKey of propyl 4-(trifluoromethyl)thiophene-2-carboxylate?
The InChIKey is RZXWYEWBCZUQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2S/c1-2-3-14-8(13)7-4-6(5-15-7)9(10,11)12/h4-5H,2-3H2,1H3.
What are the key properties of propyl 4-(trifluoromethyl)thiophene-2-carboxylate?
propyl 4-(trifluoromethyl)thiophene-2-carboxylate has a molecular weight of 238.23 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(trifluoromethyl)thiophene-2-carboxylate is sourced from PubChem (CID 18434668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).