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

C14H16FNO2 — CID 54212073

IUPAC3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol
SMILESCCCc1ccc(-n2c(O)cc(CF)c2O)cc1
InChIInChI=1S/C14H16FNO2/c1-2-3-10-4-6-12(7-5-10)16-13(17)8-11(9-15)14(16)18/h4-8,17-18H,2-3,9H2,1H3
InChIKeyPWPVCPXUJIYNQS-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.31
Rot. Bonds4

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

3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol (PubChem CID 54212073) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol
PubChem CID54212073
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol
SMILESCCCc1ccc(-n2c(O)cc(CF)c2O)cc1
InChIInChI=1S/C14H16FNO2/c1-2-3-10-4-6-12(7-5-10)16-13(17)8-11(9-15)14(16)18/h4-8,17-18H,2-3,9H2,1H3
InChIKeyPWPVCPXUJIYNQS-UHFFFAOYSA-N
XLogP3.31
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol?
The IUPAC name of 3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol (CID 54212073) is 3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol.
What is the SMILES notation for 3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol?
The canonical SMILES for 3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol is CCCc1ccc(-n2c(O)cc(CF)c2O)cc1.
What is the InChIKey of 3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol?
The InChIKey is PWPVCPXUJIYNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-2-3-10-4-6-12(7-5-10)16-13(17)8-11(9-15)14(16)18/h4-8,17-18H,2-3,9H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol?
3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol has a molecular weight of 249.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(4-propylphenyl)pyrrole-2,5-diol is sourced from PubChem (CID 54212073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).