3-(2-fluorophenyl)-1-methylpyrrole

C11H10FN — CID 174638256

IUPAC3-(2-fluorophenyl)-1-methylpyrrole
SMILESCn1ccc(-c2ccccc2F)c1
InChIInChI=1S/C11H10FN/c1-13-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKeyAKJRNZHGTDJEDI-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.83
Rot. Bonds1

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

3-(2-fluorophenyl)-1-methylpyrrole (PubChem CID 174638256) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-methylpyrrole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-methylpyrrole
PubChem CID174638256
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name3-(2-fluorophenyl)-1-methylpyrrole
SMILESCn1ccc(-c2ccccc2F)c1
InChIInChI=1S/C11H10FN/c1-13-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKeyAKJRNZHGTDJEDI-UHFFFAOYSA-N
XLogP2.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-methylpyrrole?
The IUPAC name of 3-(2-fluorophenyl)-1-methylpyrrole (CID 174638256) is 3-(2-fluorophenyl)-1-methylpyrrole.
What is the SMILES notation for 3-(2-fluorophenyl)-1-methylpyrrole?
The canonical SMILES for 3-(2-fluorophenyl)-1-methylpyrrole is Cn1ccc(-c2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-1-methylpyrrole?
The InChIKey is AKJRNZHGTDJEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-13-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-methylpyrrole?
3-(2-fluorophenyl)-1-methylpyrrole has a molecular weight of 175.21 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-methylpyrrole is sourced from PubChem (CID 174638256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).