[3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide

C9H5FNO- — CID 137295672

IUPAC[3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide
SMILES[N-]=C=CC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H5FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-5H/q-1
InChIKeyGVZIXWFYVUFIJN-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.80
Rot. Bonds2

About [3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide

[3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide (PubChem CID 137295672) has the molecular formula C9H5FNO- and a molecular weight of 162.14 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide
PubChem CID137295672
Molecular FormulaC9H5FNO-
Molecular Weight162.14 g/mol
Exact Mass162.04
IUPAC Name[3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide
SMILES[N-]=C=CC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H5FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-5H/q-1
InChIKeyGVZIXWFYVUFIJN-UHFFFAOYSA-N
XLogP1.80
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide?
The IUPAC name of [3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide (CID 137295672) is [3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide.
What is the SMILES notation for [3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide?
The canonical SMILES for [3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide is [N-]=C=CC(=O)c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide?
The InChIKey is GVZIXWFYVUFIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-5H/q-1.
What are the key properties of [3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide?
[3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide has a molecular weight of 162.14 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide is sourced from PubChem (CID 137295672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).