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

C13H12FNO2 — CID 90708312

IUPAC1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1C1CC1c1ccc(F)cc1
InChIInChI=1S/C13H12FNO2/c14-9-3-1-8(2-4-9)10-7-11(10)15-12(16)5-6-13(15)17/h1-6,10-11,16-17H,7H2
InChIKeyYSUYMLOEJHVFLT-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.77
Rot. Bonds2

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

1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol (PubChem CID 90708312) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol
PubChem CID90708312
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1C1CC1c1ccc(F)cc1
InChIInChI=1S/C13H12FNO2/c14-9-3-1-8(2-4-9)10-7-11(10)15-12(16)5-6-13(15)17/h1-6,10-11,16-17H,7H2
InChIKeyYSUYMLOEJHVFLT-UHFFFAOYSA-N
XLogP2.77
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854
1-(4-Methylphenyl)pyrrole-2,5-diol
CID 90898575
1-(2-Tert-butylphenyl)pyrrole-2,5-diol
CID 90922955
1-(3-Methylphenyl)pyrrole-2,5-diol
CID 91072733
3-(Bromomethyl)-1-(2-fluorophenyl)pyrrole-2,5-diol
CID 53639945
3-(Fluoromethyl)-1-(4-methylphenyl)pyrrole-2,5-diol
CID 53672260
1-(4-Fluoro-2-methylphenyl)-3-(iodomethyl)pyrrole-2,5-diol
CID 53678754
1-[3-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-2,5-diol
CID 53740704
3-(Bromomethyl)-1-(2-fluoro-5-methylphenyl)pyrrole-2,5-diol
CID 53767631
1-(2,4-Difluorophenyl)-3-(iodomethyl)pyrrole-2,5-diol
CID 53781684
3-(Fluoromethyl)-1-(5-fluoro-2-methylphenyl)pyrrole-2,5-diol
CID 53787699
1-(2,3-Difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol
CID 53796365

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol?
The IUPAC name of 1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol (CID 90708312) is 1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol is Oc1ccc(O)n1C1CC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol?
The InChIKey is YSUYMLOEJHVFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-9-3-1-8(2-4-9)10-7-11(10)15-12(16)5-6-13(15)17/h1-6,10-11,16-17H,7H2.
What are the key properties of 1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol?
1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol has a molecular weight of 233.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)cyclopropyl]pyrrole-2,5-diol is sourced from PubChem (CID 90708312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).