1-(2,6-difluoro-3-methylphenyl)pyrrole

C11H9F2N — CID 82819434

IUPAC1-(2,6-difluoro-3-methylphenyl)pyrrole
SMILESCc1ccc(F)c(-n2cccc2)c1F
InChIInChI=1S/C11H9F2N/c1-8-4-5-9(12)11(10(8)13)14-6-2-3-7-14/h2-7H,1H3
InChIKeyGPMGHBBEOPSUGU-UHFFFAOYSA-N
MW193.20 g/mol
LogP3.06
Rot. Bonds1

About 1-(2,6-difluoro-3-methylphenyl)pyrrole

1-(2,6-difluoro-3-methylphenyl)pyrrole (PubChem CID 82819434) has the molecular formula C11H9F2N and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)pyrrole.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)pyrrole
PubChem CID82819434
Molecular FormulaC11H9F2N
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-(2,6-difluoro-3-methylphenyl)pyrrole
SMILESCc1ccc(F)c(-n2cccc2)c1F
InChIInChI=1S/C11H9F2N/c1-8-4-5-9(12)11(10(8)13)14-6-2-3-7-14/h2-7H,1H3
InChIKeyGPMGHBBEOPSUGU-UHFFFAOYSA-N
XLogP3.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89594
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
5-Ethyl-2-methylpyridine
CID 7728
(R)-Nicotine
CID 157672
3-Propylpyridine
CID 78405
Nicotine hydrochloride
CID 5284430
Nicotyrine
CID 10249
4-(4-(Dimethylamino)styryl)-1-methylpyridinium iodide
CID 5333955
1-Methylindole
CID 11781
5-Amino-2-(1H-pyrrol-1-yl)benzonitrile
CID 2797729
2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline
CID 2779962
1H-Pyrrole, 1-(phenylmethyl)-
CID 74922

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)pyrrole?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)pyrrole (CID 82819434) is 1-(2,6-difluoro-3-methylphenyl)pyrrole.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)pyrrole?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)pyrrole is Cc1ccc(F)c(-n2cccc2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)pyrrole?
The InChIKey is GPMGHBBEOPSUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N/c1-8-4-5-9(12)11(10(8)13)14-6-2-3-7-14/h2-7H,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)pyrrole?
1-(2,6-difluoro-3-methylphenyl)pyrrole has a molecular weight of 193.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)pyrrole is sourced from PubChem (CID 82819434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).