4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium

C10H9ClFN2O3+ — CID 139822544

IUPAC4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium
SMILESCCOC(=O)COc1cc([N+]#N)c(F)cc1Cl
InChIInChI=1S/C10H9ClFN2O3/c1-2-16-10(15)5-17-9-4-8(14-13)7(12)3-6(9)11/h3-4H,2,5H2,1H3/q+1
InChIKeyRCGVYTWGBLHTMR-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.91
Rot. Bonds4

About 4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium

4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium (PubChem CID 139822544) has the molecular formula C10H9ClFN2O3+ and a molecular weight of 259.64 g/mol. Its IUPAC name is 4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium.

Molecular Properties

Compound Name4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium
PubChem CID139822544
Molecular FormulaC10H9ClFN2O3+
Molecular Weight259.64 g/mol
Exact Mass259.03
IUPAC Name4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium
SMILESCCOC(=O)COc1cc([N+]#N)c(F)cc1Cl
InChIInChI=1S/C10H9ClFN2O3/c1-2-16-10(15)5-17-9-4-8(14-13)7(12)3-6(9)11/h3-4H,2,5H2,1H3/q+1
InChIKeyRCGVYTWGBLHTMR-UHFFFAOYSA-N
XLogP2.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorophenyl]-3-oxopropanoate
CID 22359301
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-[2-chloro-5-[5-chloro-6-(1-hydroxyethyl)pyrimidin-4-yl]-4-fluorophenoxy]acetate
CID 139884477
ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate
CID 59875313
ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate
CID 83409150
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-[2-chloro-4-fluoro-5-(4-oxo-1,2,3-benzotriazin-3-yl)phenoxy]acetate
CID 139226417
ethyl 2-[2-chloro-4-fluoro-5-(N-[(3,3,3-trifluoro-2-oxopropylidene)amino]anilino)phenoxy]acetate
CID 54145894
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate
CID 155401212
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium?
The IUPAC name of 4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium (CID 139822544) is 4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium.
What is the SMILES notation for 4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium?
The canonical SMILES for 4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium is CCOC(=O)COc1cc([N+]#N)c(F)cc1Cl.
What is the InChIKey of 4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium?
The InChIKey is RCGVYTWGBLHTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN2O3/c1-2-16-10(15)5-17-9-4-8(14-13)7(12)3-6(9)11/h3-4H,2,5H2,1H3/q+1.
What are the key properties of 4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium?
4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium has a molecular weight of 259.64 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium is sourced from PubChem (CID 139822544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).