(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one

C11H10F2N2O2 — CID 135411653

IUPAC(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
SMILESCC(=O)C(/N=N/c1c(F)cccc1F)=C(\C)O
InChIInChI=1S/C11H10F2N2O2/c1-6(16)10(7(2)17)14-15-11-8(12)4-3-5-9(11)13/h3-5,16H,1-2H3/b10-6-,15-14+
InChIKeyOEEQHXFNRGGFDQ-PGFMTHIQSA-N
MW240.21 g/mol
LogP3.43
Rot. Bonds3

About (Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one

(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one (PubChem CID 135411653) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is (Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
PubChem CID135411653
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
SMILESCC(=O)C(/N=N/c1c(F)cccc1F)=C(\C)O
InChIInChI=1S/C11H10F2N2O2/c1-6(16)10(7(2)17)14-15-11-8(12)4-3-5-9(11)13/h3-5,16H,1-2H3/b10-6-,15-14+
InChIKeyOEEQHXFNRGGFDQ-PGFMTHIQSA-N
XLogP3.43
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one?
The IUPAC name of (Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one (CID 135411653) is (Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one.
What is the SMILES notation for (Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one?
The canonical SMILES for (Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one is CC(=O)C(/N=N/c1c(F)cccc1F)=C(\C)O.
What is the InChIKey of (Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one?
The InChIKey is OEEQHXFNRGGFDQ-PGFMTHIQSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-6(16)10(7(2)17)14-15-11-8(12)4-3-5-9(11)13/h3-5,16H,1-2H3/b10-6-,15-14+.
What are the key properties of (Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one?
(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one has a molecular weight of 240.21 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 135411653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).