propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate

C10H10FNO3 — CID 143939639

IUPACpropyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCCOC(=O)c1[nH]c2ccoc2c1F
InChIInChI=1S/C10H10FNO3/c1-2-4-15-10(13)8-7(11)9-6(12-8)3-5-14-9/h3,5,12H,2,4H2,1H3
InChIKeyQJNWYKOTYVCHSO-UHFFFAOYSA-N
MW211.19 g/mol
LogP2.47
Rot. Bonds3

About propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate

propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 143939639) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namepropyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID143939639
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Namepropyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCCOC(=O)c1[nH]c2ccoc2c1F
InChIInChI=1S/C10H10FNO3/c1-2-4-15-10(13)8-7(11)9-6(12-8)3-5-14-9/h3,5,12H,2,4H2,1H3
InChIKeyQJNWYKOTYVCHSO-UHFFFAOYSA-N
XLogP2.47
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

4H-Furo(3,2-b)pyrrole-5-carboxylic acid
CID 7141881
methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 5082263
3-(2-phenylethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44623061
2-Phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 343030
2-chloro-4H-furo(3,2-b)pyrrole-5-carboxylic acid
CID 22556501
4-Cyclohexyloxycarbonylmethyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652843
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
methyl 4-[1-(morpholin-4-ylcarbonyl)propyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3241399
methyl 4-(3-methylbenzyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011036
methyl 4-{1-[(2-ethoxyanilino)carbonyl]propyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011169
4-[2-(3-Fluoro-phenyl)-2-oxo-ethyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid methyl ester
CID 134147418
4-[2-(4-Fluoro-phenyl)-2-oxo-ethyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid methyl ester
CID 134155158

Frequently Asked Questions

What is the IUPAC name of propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate (CID 143939639) is propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate is CCCOC(=O)c1[nH]c2ccoc2c1F.
What is the InChIKey of propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is QJNWYKOTYVCHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-2-4-15-10(13)8-7(11)9-6(12-8)3-5-14-9/h3,5,12H,2,4H2,1H3.
What are the key properties of propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 211.19 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 143939639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).