1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol

C15H18FNO2 — CID 54311203

IUPAC1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol
SMILESCCc1cccc(CC)c1-n1c(O)cc(CF)c1O
InChIInChI=1S/C15H18FNO2/c1-3-10-6-5-7-11(4-2)14(10)17-13(18)8-12(9-16)15(17)19/h5-8,18-19H,3-4,9H2,1-2H3
InChIKeySKZWEKPEICPGAA-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.48
Rot. Bonds4

About 1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol

1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol (PubChem CID 54311203) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol
PubChem CID54311203
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol
SMILESCCc1cccc(CC)c1-n1c(O)cc(CF)c1O
InChIInChI=1S/C15H18FNO2/c1-3-10-6-5-7-11(4-2)14(10)17-13(18)8-12(9-16)15(17)19/h5-8,18-19H,3-4,9H2,1-2H3
InChIKeySKZWEKPEICPGAA-UHFFFAOYSA-N
XLogP3.48
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenol
CID 3029922
1-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854
2-(2-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123175013
2-(4-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123536853
Pyrrole, 2,5-dimethyl-1-(2,6-dimethyl-4-hydroxy)phenyl-
CID 171384576
1-Naphthalen-1-ylpyrrole-2,5-diol
CID 53867746
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
1-(4-Bromo-3-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol
CID 53657619
3-(Fluoromethyl)-1-(4-methylphenyl)pyrrole-2,5-diol
CID 53672260

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol (CID 54311203) is 1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol is CCc1cccc(CC)c1-n1c(O)cc(CF)c1O.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
The InChIKey is SKZWEKPEICPGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-10-6-5-7-11(4-2)14(10)17-13(18)8-12(9-16)15(17)19/h5-8,18-19H,3-4,9H2,1-2H3.
What are the key properties of 1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol has a molecular weight of 263.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol is sourced from PubChem (CID 54311203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).