[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate

C16H12FNO5 — CID 23820536

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO5/c17-13-5-3-12(4-6-13)15(19)10-23-16(20)9-11-1-7-14(8-2-11)18(21)22/h1-8H,9-10H2
InChIKeyMGMOVHILCGVSKC-UHFFFAOYSA-N
MW317.27 g/mol
LogP2.70
Rot. Bonds6

About [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate

[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate (PubChem CID 23820536) has the molecular formula C16H12FNO5 and a molecular weight of 317.27 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate
PubChem CID23820536
Molecular FormulaC16H12FNO5
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO5/c17-13-5-3-12(4-6-13)15(19)10-23-16(20)9-11-1-7-14(8-2-11)18(21)22/h1-8H,9-10H2
InChIKeyMGMOVHILCGVSKC-UHFFFAOYSA-N
XLogP2.70
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
[2-(4-nitrophenoxy)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 175037095
1-(4-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031388
1-(4-nitrophenyl)-2-[4-[4-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]phenyl]ethanone
CID 159718467
[2-(4-nitrophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 16645384
(4-nitrophenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 7877988
[2-(4-fluorophenyl)-2-oxoethyl] 4-(3-nitroanilino)-4-oxobutanoate
CID 2291760
[2-(4-fluorophenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2355431
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
2-(4-methylphenyl)-1-(4-nitrophenyl)ethanone
CID 61077720
2-[2-(4-nitrophenyl)acetyl]oxyethanesulfinate
CID 57247570
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate (CID 23820536) is [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate is O=C(Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate?
The InChIKey is MGMOVHILCGVSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO5/c17-13-5-3-12(4-6-13)15(19)10-23-16(20)9-11-1-7-14(8-2-11)18(21)22/h1-8H,9-10H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate has a molecular weight of 317.27 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate is sourced from PubChem (CID 23820536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).