(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one

C11H11FN2O2 — CID 135672253

IUPAC(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
SMILESCC(=O)C(/N=N/c1cccc(F)c1)=C(\C)O
InChIInChI=1S/C11H11FN2O2/c1-7(15)11(8(2)16)14-13-10-5-3-4-9(12)6-10/h3-6,15H,1-2H3/b11-7-,14-13+
InChIKeyAIFKMYGJPOSBFW-UKCOVKCYSA-N
MW222.22 g/mol
LogP3.29
Rot. Bonds3

About (Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one

(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one (PubChem CID 135672253) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is (Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
PubChem CID135672253
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
SMILESCC(=O)C(/N=N/c1cccc(F)c1)=C(\C)O
InChIInChI=1S/C11H11FN2O2/c1-7(15)11(8(2)16)14-13-10-5-3-4-9(12)6-10/h3-6,15H,1-2H3/b11-7-,14-13+
InChIKeyAIFKMYGJPOSBFW-UKCOVKCYSA-N
XLogP3.29
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 53.29
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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Related Compounds

(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one
CID 177384143
N-hydroxy-3-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]benzeneamine oxide
CID 163128119
(Z)-3-[(2,6-difluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135411653
4-hydroxy-5-phenyl-3-phenyldiazenylpent-3-en-2-one
CID 137220063
ethyl 3-hydroxy-2-[(3-nitrophenyl)diazenyl]but-2-enoate
CID 135525741
1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
CID 130247360
N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide
CID 11778680
[2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]arsonic acid
CID 137183643
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)diazene
CID 166445658
ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane
CID 125450850
N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
CID 139246224
1,3-difluorobenzene;methanol
CID 144994633

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one?
The IUPAC name of (Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one (CID 135672253) is (Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one.
What is the SMILES notation for (Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one?
The canonical SMILES for (Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one is CC(=O)C(/N=N/c1cccc(F)c1)=C(\C)O.
What is the InChIKey of (Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one?
The InChIKey is AIFKMYGJPOSBFW-UKCOVKCYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7(15)11(8(2)16)14-13-10-5-3-4-9(12)6-10/h3-6,15H,1-2H3/b11-7-,14-13+.
What are the key properties of (Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one?
(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one has a molecular weight of 222.22 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 135672253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).