1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol

C11H8F3NO2 — CID 54067064

IUPAC1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol
SMILESOc1cc(CF)c(O)n1-c1ccc(F)cc1F
InChIInChI=1S/C11H8F3NO2/c12-5-6-3-10(16)15(11(6)17)9-2-1-7(13)4-8(9)14/h1-4,16-17H,5H2
InChIKeyMDSWDEWDFRIQES-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.64
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol

1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol (PubChem CID 54067064) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol
PubChem CID54067064
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol
SMILESOc1cc(CF)c(O)n1-c1ccc(F)cc1F
InChIInChI=1S/C11H8F3NO2/c12-5-6-3-10(16)15(11(6)17)9-2-1-7(13)4-8(9)14/h1-4,16-17H,5H2
InChIKeyMDSWDEWDFRIQES-UHFFFAOYSA-N
XLogP2.64
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-1-(2,4-difluoro-5-methylphenyl)pyrrole-2,5-diol
CID 54247480
1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid
CID 54726157
3-(bromomethyl)-1-[2-[[2-[3-(bromomethyl)-2,5-dihydroxypyrrol-1-yl]phenyl]methyl]phenyl]pyrrole-2,5-diol
CID 54447856
2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
CID 141066600
5-fluoro-2-(fluoromethyl)aniline
CID 91883417
1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole
CID 18972381
4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile
CID 117062242
1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 58158462
2-[2-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 125454463
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetonitrile
CID 82116841
9-(2,4-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55105976

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol (CID 54067064) is 1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol is Oc1cc(CF)c(O)n1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
The InChIKey is MDSWDEWDFRIQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-5-6-3-10(16)15(11(6)17)9-2-1-7(13)4-8(9)14/h1-4,16-17H,5H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol has a molecular weight of 243.18 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol is sourced from PubChem (CID 54067064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).