ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate

C16H17FO2S — CID 10494291

IUPACethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1C(C)C
InChIInChI=1S/C16H17FO2S/c1-4-19-16(18)14-13(9-20-15(14)10(2)3)11-5-7-12(17)8-6-11/h5-10H,4H2,1-3H3
InChIKeyMUDDTXQFALSTTE-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.85
Rot. Bonds4

About ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate

ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate (PubChem CID 10494291) has the molecular formula C16H17FO2S and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate
PubChem CID10494291
Molecular FormulaC16H17FO2S
Molecular Weight292.38 g/mol
Exact Mass292.09
IUPAC Nameethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1C(C)C
InChIInChI=1S/C16H17FO2S/c1-4-19-16(18)14-13(9-20-15(14)10(2)3)11-5-7-12(17)8-6-11/h5-10H,4H2,1-3H3
InChIKeyMUDDTXQFALSTTE-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate (CID 10494291) is ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)csc1C(C)C.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate?
The InChIKey is MUDDTXQFALSTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2S/c1-4-19-16(18)14-13(9-20-15(14)10(2)3)11-5-7-12(17)8-6-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate?
ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-propan-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 10494291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).