methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate

C14H12F2O2S — CID 134845018

IUPACmethyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1CC(F)c1ccc(F)cc1
InChIInChI=1S/C14H12F2O2S/c1-18-14(17)11-6-7-19-13(11)8-12(16)9-2-4-10(15)5-3-9/h2-7,12H,8H2,1H3
InChIKeyHDKSGOHMPYJBDY-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.93
Rot. Bonds4

About methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate

methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate (PubChem CID 134845018) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate
PubChem CID134845018
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Namemethyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1CC(F)c1ccc(F)cc1
InChIInChI=1S/C14H12F2O2S/c1-18-14(17)11-6-7-19-13(11)8-12(16)9-2-4-10(15)5-3-9/h2-7,12H,8H2,1H3
InChIKeyHDKSGOHMPYJBDY-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate (CID 134845018) is methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate is COC(=O)c1ccsc1CC(F)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate?
The InChIKey is HDKSGOHMPYJBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c1-18-14(17)11-6-7-19-13(11)8-12(16)9-2-4-10(15)5-3-9/h2-7,12H,8H2,1H3.
What are the key properties of methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate?
methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-2-(4-fluorophenyl)ethyl]thiophene-3-carboxylate is sourced from PubChem (CID 134845018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).