3-fluoro-2-pyrrol-1-ylphenol

C10H8FNO — CID 58551451

IUPAC3-fluoro-2-pyrrol-1-ylphenol
SMILESOc1cccc(F)c1-n1cccc1
InChIInChI=1S/C10H8FNO/c11-8-4-3-5-9(13)10(8)12-6-1-2-7-12/h1-7,13H
InChIKeyXUWMVKRMVMDWPH-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.32
Rot. Bonds1

About 3-fluoro-2-pyrrol-1-ylphenol

3-fluoro-2-pyrrol-1-ylphenol (PubChem CID 58551451) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 3-fluoro-2-pyrrol-1-ylphenol.

Molecular Properties

Compound Name3-fluoro-2-pyrrol-1-ylphenol
PubChem CID58551451
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name3-fluoro-2-pyrrol-1-ylphenol
SMILESOc1cccc(F)c1-n1cccc1
InChIInChI=1S/C10H8FNO/c11-8-4-3-5-9(13)10(8)12-6-1-2-7-12/h1-7,13H
InChIKeyXUWMVKRMVMDWPH-UHFFFAOYSA-N
XLogP2.32
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-pyrrol-1-ylphenol?
The IUPAC name of 3-fluoro-2-pyrrol-1-ylphenol (CID 58551451) is 3-fluoro-2-pyrrol-1-ylphenol.
What is the SMILES notation for 3-fluoro-2-pyrrol-1-ylphenol?
The canonical SMILES for 3-fluoro-2-pyrrol-1-ylphenol is Oc1cccc(F)c1-n1cccc1.
What is the InChIKey of 3-fluoro-2-pyrrol-1-ylphenol?
The InChIKey is XUWMVKRMVMDWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-8-4-3-5-9(13)10(8)12-6-1-2-7-12/h1-7,13H.
What are the key properties of 3-fluoro-2-pyrrol-1-ylphenol?
3-fluoro-2-pyrrol-1-ylphenol has a molecular weight of 177.18 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-pyrrol-1-ylphenol is sourced from PubChem (CID 58551451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).