methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate

C14H16FNO2S — CID 67298952

IUPACmethyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2[nH]cc(C3CCCCC3F)c2s1
InChIInChI=1S/C14H16FNO2S/c1-18-14(17)12-6-11-13(19-12)9(7-16-11)8-4-2-3-5-10(8)15/h6-8,10,16H,2-5H2,1H3
InChIKeyGXUSDYFCVDSQID-UHFFFAOYSA-N
MW281.35 g/mol
LogP4.01
Rot. Bonds2

About methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate

methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate (PubChem CID 67298952) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate
PubChem CID67298952
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Namemethyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2[nH]cc(C3CCCCC3F)c2s1
InChIInChI=1S/C14H16FNO2S/c1-18-14(17)12-6-11-13(19-12)9(7-16-11)8-4-2-3-5-10(8)15/h6-8,10,16H,2-5H2,1H3
InChIKeyGXUSDYFCVDSQID-UHFFFAOYSA-N
XLogP4.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate (CID 67298952) is methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate is COC(=O)c1cc2[nH]cc(C3CCCCC3F)c2s1.
What is the InChIKey of methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The InChIKey is GXUSDYFCVDSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-18-14(17)12-6-11-13(19-12)9(7-16-11)8-4-2-3-5-10(8)15/h6-8,10,16H,2-5H2,1H3.
What are the key properties of methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate?
methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-fluorocyclohexyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 67298952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).