methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate

C15H14FNO2S — CID 3427812

IUPACmethyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C15H14FNO2S/c1-19-15(18)13-6-11-8-17(9-14(11)20-13)7-10-2-4-12(16)5-3-10/h2-6H,7-9H2,1H3
InChIKeyGBZYSXBGNSCEEN-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.19
Rot. Bonds3

About methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate

methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate (PubChem CID 3427812) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate
PubChem CID3427812
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Namemethyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C15H14FNO2S/c1-19-15(18)13-6-11-8-17(9-14(11)20-13)7-10-2-4-12(16)5-3-10/h2-6H,7-9H2,1H3
InChIKeyGBZYSXBGNSCEEN-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate?
The IUPAC name of methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate (CID 3427812) is methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate is COC(=O)c1cc2c(s1)CN(Cc1ccc(F)cc1)C2.
What is the InChIKey of methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate?
The InChIKey is GBZYSXBGNSCEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-19-15(18)13-6-11-8-17(9-14(11)20-13)7-10-2-4-12(16)5-3-10/h2-6H,7-9H2,1H3.
What are the key properties of methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate?
methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylate is sourced from PubChem (CID 3427812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).