2-(2-fluoro-6-methylphenyl)-1H-pyrrole

C11H10FN — CID 137332729

IUPAC2-(2-fluoro-6-methylphenyl)-1H-pyrrole
SMILESCc1cccc(F)c1-c1ccc[nH]1
InChIInChI=1S/C11H10FN/c1-8-4-2-5-9(12)11(8)10-6-3-7-13-10/h2-7,13H,1H3
InChIKeyGXUHVCVSCVJRAE-UHFFFAOYSA-N
MW175.21 g/mol
LogP3.13
Rot. Bonds1

About 2-(2-fluoro-6-methylphenyl)-1H-pyrrole

2-(2-fluoro-6-methylphenyl)-1H-pyrrole (PubChem CID 137332729) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-(2-fluoro-6-methylphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2-fluoro-6-methylphenyl)-1H-pyrrole
PubChem CID137332729
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name2-(2-fluoro-6-methylphenyl)-1H-pyrrole
SMILESCc1cccc(F)c1-c1ccc[nH]1
InChIInChI=1S/C11H10FN/c1-8-4-2-5-9(12)11(8)10-6-3-7-13-10/h2-7,13H,1H3
InChIKeyGXUHVCVSCVJRAE-UHFFFAOYSA-N
XLogP3.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methylphenyl)-1H-pyrrole?
The IUPAC name of 2-(2-fluoro-6-methylphenyl)-1H-pyrrole (CID 137332729) is 2-(2-fluoro-6-methylphenyl)-1H-pyrrole.
What is the SMILES notation for 2-(2-fluoro-6-methylphenyl)-1H-pyrrole?
The canonical SMILES for 2-(2-fluoro-6-methylphenyl)-1H-pyrrole is Cc1cccc(F)c1-c1ccc[nH]1.
What is the InChIKey of 2-(2-fluoro-6-methylphenyl)-1H-pyrrole?
The InChIKey is GXUHVCVSCVJRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-8-4-2-5-9(12)11(8)10-6-3-7-13-10/h2-7,13H,1H3.
What are the key properties of 2-(2-fluoro-6-methylphenyl)-1H-pyrrole?
2-(2-fluoro-6-methylphenyl)-1H-pyrrole has a molecular weight of 175.21 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methylphenyl)-1H-pyrrole is sourced from PubChem (CID 137332729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).