3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one

C11H9F3N2O2 — CID 139933618

IUPAC3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one
SMILESO=C1C=C(NNc2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)15-16-9-5-10(17)18-6-9/h1-5,15-16H,6H2
InChIKeyKUGYHLAFKZIZMR-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.06
Rot. Bonds3

About 3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one

3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one (PubChem CID 139933618) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one
PubChem CID139933618
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one
SMILESO=C1C=C(NNc2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)15-16-9-5-10(17)18-6-9/h1-5,15-16H,6H2
InChIKeyKUGYHLAFKZIZMR-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one?
The IUPAC name of 3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one (CID 139933618) is 3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one.
What is the SMILES notation for 3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one?
The canonical SMILES for 3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one is O=C1C=C(NNc2cccc(C(F)(F)F)c2)CO1.
What is the InChIKey of 3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one?
The InChIKey is KUGYHLAFKZIZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)15-16-9-5-10(17)18-6-9/h1-5,15-16H,6H2.
What are the key properties of 3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one?
3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one has a molecular weight of 258.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]-2H-furan-5-one is sourced from PubChem (CID 139933618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).