2,6-difluoro-4-pyrrol-1-ylphenol

C10H7F2NO — CID 11229344

IUPAC2,6-difluoro-4-pyrrol-1-ylphenol
SMILESOc1c(F)cc(-n2cccc2)cc1F
InChIInChI=1S/C10H7F2NO/c11-8-5-7(6-9(12)10(8)14)13-3-1-2-4-13/h1-6,14H
InChIKeySLMOALIKKMWJLM-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.46
Rot. Bonds1

About 2,6-difluoro-4-pyrrol-1-ylphenol

2,6-difluoro-4-pyrrol-1-ylphenol (PubChem CID 11229344) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is 2,6-difluoro-4-pyrrol-1-ylphenol.

Molecular Properties

Compound Name2,6-difluoro-4-pyrrol-1-ylphenol
PubChem CID11229344
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2,6-difluoro-4-pyrrol-1-ylphenol
SMILESOc1c(F)cc(-n2cccc2)cc1F
InChIInChI=1S/C10H7F2NO/c11-8-5-7(6-9(12)10(8)14)13-3-1-2-4-13/h1-6,14H
InChIKeySLMOALIKKMWJLM-UHFFFAOYSA-N
XLogP2.46
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-pyrrol-1-ylphenol?
The IUPAC name of 2,6-difluoro-4-pyrrol-1-ylphenol (CID 11229344) is 2,6-difluoro-4-pyrrol-1-ylphenol.
What is the SMILES notation for 2,6-difluoro-4-pyrrol-1-ylphenol?
The canonical SMILES for 2,6-difluoro-4-pyrrol-1-ylphenol is Oc1c(F)cc(-n2cccc2)cc1F.
What is the InChIKey of 2,6-difluoro-4-pyrrol-1-ylphenol?
The InChIKey is SLMOALIKKMWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO/c11-8-5-7(6-9(12)10(8)14)13-3-1-2-4-13/h1-6,14H.
What are the key properties of 2,6-difluoro-4-pyrrol-1-ylphenol?
2,6-difluoro-4-pyrrol-1-ylphenol has a molecular weight of 195.17 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-pyrrol-1-ylphenol is sourced from PubChem (CID 11229344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).