3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol

C12H11F2NO2 — CID 54504496

IUPAC3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol
SMILESCc1c(F)cccc1-n1c(O)cc(CF)c1O
InChIInChI=1S/C12H11F2NO2/c1-7-9(14)3-2-4-10(7)15-11(16)5-8(6-13)12(15)17/h2-5,16-17H,6H2,1H3
InChIKeyYESUPIZCXDMRQR-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.81
Rot. Bonds2

About 3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol

3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol (PubChem CID 54504496) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol
PubChem CID54504496
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol
SMILESCc1c(F)cccc1-n1c(O)cc(CF)c1O
InChIInChI=1S/C12H11F2NO2/c1-7-9(14)3-2-4-10(7)15-11(16)5-8(6-13)12(15)17/h2-5,16-17H,6H2,1H3
InChIKeyYESUPIZCXDMRQR-UHFFFAOYSA-N
XLogP2.81
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol?
The IUPAC name of 3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol (CID 54504496) is 3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol.
What is the SMILES notation for 3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol?
The canonical SMILES for 3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol is Cc1c(F)cccc1-n1c(O)cc(CF)c1O.
What is the InChIKey of 3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol?
The InChIKey is YESUPIZCXDMRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-7-9(14)3-2-4-10(7)15-11(16)5-8(6-13)12(15)17/h2-5,16-17H,6H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol?
3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol has a molecular weight of 239.22 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(3-fluoro-2-methylphenyl)pyrrole-2,5-diol is sourced from PubChem (CID 54504496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).