2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole

C12H12FNO — CID 174054223

IUPAC2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole
SMILESCOc1ccn(C)c1-c1ccccc1F
InChIInChI=1S/C12H12FNO/c1-14-8-7-11(15-2)12(14)9-5-3-4-6-10(9)13/h3-8H,1-2H3
InChIKeyMZYHXOQPUNLZTQ-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.84
Rot. Bonds2

About 2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole

2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole (PubChem CID 174054223) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole
PubChem CID174054223
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole
SMILESCOc1ccn(C)c1-c1ccccc1F
InChIInChI=1S/C12H12FNO/c1-14-8-7-11(15-2)12(14)9-5-3-4-6-10(9)13/h3-8H,1-2H3
InChIKeyMZYHXOQPUNLZTQ-UHFFFAOYSA-N
XLogP2.84
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole?
The IUPAC name of 2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole (CID 174054223) is 2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole.
What is the SMILES notation for 2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole?
The canonical SMILES for 2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole is COc1ccn(C)c1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole?
The InChIKey is MZYHXOQPUNLZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-14-8-7-11(15-2)12(14)9-5-3-4-6-10(9)13/h3-8H,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole?
2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole has a molecular weight of 205.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-methoxy-1-methylpyrrole is sourced from PubChem (CID 174054223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).