4-fluoro-2-methoxy-1-methylpyrrole

C6H8FNO — CID 138494772

IUPAC4-fluoro-2-methoxy-1-methylpyrrole
SMILESCOc1cc(F)cn1C
InChIInChI=1S/C6H8FNO/c1-8-4-5(7)3-6(8)9-2/h3-4H,1-2H3
InChIKeyQWWQVJFEXQFMDW-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.17
Rot. Bonds1

About 4-fluoro-2-methoxy-1-methylpyrrole

4-fluoro-2-methoxy-1-methylpyrrole (PubChem CID 138494772) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-1-methylpyrrole.

Molecular Properties

Compound Name4-fluoro-2-methoxy-1-methylpyrrole
PubChem CID138494772
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name4-fluoro-2-methoxy-1-methylpyrrole
SMILESCOc1cc(F)cn1C
InChIInChI=1S/C6H8FNO/c1-8-4-5(7)3-6(8)9-2/h3-4H,1-2H3
InChIKeyQWWQVJFEXQFMDW-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 4-fluoro-2-methoxy-1-methylpyrrole?
The IUPAC name of 4-fluoro-2-methoxy-1-methylpyrrole (CID 138494772) is 4-fluoro-2-methoxy-1-methylpyrrole.
What is the SMILES notation for 4-fluoro-2-methoxy-1-methylpyrrole?
The canonical SMILES for 4-fluoro-2-methoxy-1-methylpyrrole is COc1cc(F)cn1C.
What is the InChIKey of 4-fluoro-2-methoxy-1-methylpyrrole?
The InChIKey is QWWQVJFEXQFMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-8-4-5(7)3-6(8)9-2/h3-4H,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-1-methylpyrrole?
4-fluoro-2-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 4-fluoro-2-methoxy-1-methylpyrrole is sourced from PubChem (CID 138494772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).