2-fluoro-5-methoxy-1-methylpyrrole

C6H8FNO — CID 138494761

IUPAC2-fluoro-5-methoxy-1-methylpyrrole
SMILESCOc1ccc(F)n1C
InChIInChI=1S/C6H8FNO/c1-8-5(7)3-4-6(8)9-2/h3-4H,1-2H3
InChIKeyRQBLBLHMZWQTQE-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.17
Rot. Bonds1

About 2-fluoro-5-methoxy-1-methylpyrrole

2-fluoro-5-methoxy-1-methylpyrrole (PubChem CID 138494761) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-methylpyrrole.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-methylpyrrole
PubChem CID138494761
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name2-fluoro-5-methoxy-1-methylpyrrole
SMILESCOc1ccc(F)n1C
InChIInChI=1S/C6H8FNO/c1-8-5(7)3-4-6(8)9-2/h3-4H,1-2H3
InChIKeyRQBLBLHMZWQTQE-UHFFFAOYSA-N
XLogP1.17
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-methylpyrrole?
The IUPAC name of 2-fluoro-5-methoxy-1-methylpyrrole (CID 138494761) is 2-fluoro-5-methoxy-1-methylpyrrole.
What is the SMILES notation for 2-fluoro-5-methoxy-1-methylpyrrole?
The canonical SMILES for 2-fluoro-5-methoxy-1-methylpyrrole is COc1ccc(F)n1C.
What is the InChIKey of 2-fluoro-5-methoxy-1-methylpyrrole?
The InChIKey is RQBLBLHMZWQTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-8-5(7)3-4-6(8)9-2/h3-4H,1-2H3.
What are the key properties of 2-fluoro-5-methoxy-1-methylpyrrole?
2-fluoro-5-methoxy-1-methylpyrrole has a molecular weight of 129.13 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-methylpyrrole is sourced from PubChem (CID 138494761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).