1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol

C8H7F4NO2 — CID 123244723

IUPAC1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1CC(F)=CC(F)(F)F
InChIInChI=1S/C8H7F4NO2/c9-5(3-8(10,11)12)4-13-6(14)1-2-7(13)15/h1-3,14-15H,4H2
InChIKeyIKQNKJCLLXNKES-UHFFFAOYSA-N
MW225.14 g/mol
LogP2.32
Rot. Bonds2

About 1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol

1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol (PubChem CID 123244723) has the molecular formula C8H7F4NO2 and a molecular weight of 225.14 g/mol. Its IUPAC name is 1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol
PubChem CID123244723
Molecular FormulaC8H7F4NO2
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1CC(F)=CC(F)(F)F
InChIInChI=1S/C8H7F4NO2/c9-5(3-8(10,11)12)4-13-6(14)1-2-7(13)15/h1-3,14-15H,4H2
InChIKeyIKQNKJCLLXNKES-UHFFFAOYSA-N
XLogP2.32
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol (CID 123244723) is 1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol is Oc1ccc(O)n1CC(F)=CC(F)(F)F.
What is the InChIKey of 1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol?
The InChIKey is IKQNKJCLLXNKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO2/c9-5(3-8(10,11)12)4-13-6(14)1-2-7(13)15/h1-3,14-15H,4H2.
What are the key properties of 1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol?
1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol has a molecular weight of 225.14 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4,4-tetrafluorobut-2-enyl)pyrrole-2,5-diol is sourced from PubChem (CID 123244723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).