1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol

C11H10FNO2 — CID 91345057

IUPAC1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1Cc1ccc(F)cc1
InChIInChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-6,14-15H,7H2
InChIKeyPPUXBUVROBXWGK-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.09
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol

1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol (PubChem CID 91345057) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol
PubChem CID91345057
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1Cc1ccc(F)cc1
InChIInChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-6,14-15H,7H2
InChIKeyPPUXBUVROBXWGK-UHFFFAOYSA-N
XLogP2.09
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol?
The IUPAC name of 1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol (CID 91345057) is 1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol is Oc1ccc(O)n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol?
The InChIKey is PPUXBUVROBXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-6,14-15H,7H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol?
1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol has a molecular weight of 207.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]pyrrole-2,5-diol is sourced from PubChem (CID 91345057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).