2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium

C10H10FN2O2+ — CID 175414660

IUPAC2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium
SMILESN#[N+]CCOC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H10FN2O2/c11-9-3-1-8(2-4-9)7-10(14)15-6-5-13-12/h1-4H,5-7H2/q+1
InChIKeyGIHJOFOQRNVLQR-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.76
Rot. Bonds4

About 2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium

2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium (PubChem CID 175414660) has the molecular formula C10H10FN2O2+ and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium
PubChem CID175414660
Molecular FormulaC10H10FN2O2+
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium
SMILESN#[N+]CCOC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H10FN2O2/c11-9-3-1-8(2-4-9)7-10(14)15-6-5-13-12/h1-4H,5-7H2/q+1
InChIKeyGIHJOFOQRNVLQR-UHFFFAOYSA-N
XLogP1.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)ethyl 2-(4-fluorophenyl)acetate
CID 78760245
[(E)-but-2-enyl] 2-(4-fluorophenyl)acetate
CID 78830523
2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate
CID 158542822
[4-(4-fluoroanilino)-4-oxobutyl] 2-(4-chlorophenyl)acetate
CID 118256647
N-(2-aminooxyethyl)-2-(4-fluorophenyl)acetamide
CID 39243053
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate
CID 132581734
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758895
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 16524094
2-(4-fluorophenoxy)ethyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 9323178
4-[2-(4-methylphenyl)acetyl]oxybutanoic acid
CID 126736407
propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate
CID 19429540

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium?
The IUPAC name of 2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium (CID 175414660) is 2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium.
What is the SMILES notation for 2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium?
The canonical SMILES for 2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium is N#[N+]CCOC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium?
The InChIKey is GIHJOFOQRNVLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN2O2/c11-9-3-1-8(2-4-9)7-10(14)15-6-5-13-12/h1-4H,5-7H2/q+1.
What are the key properties of 2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium?
2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium has a molecular weight of 209.20 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)acetyl]oxyethanediazonium is sourced from PubChem (CID 175414660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).