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

C16H12ClFO3 — CID 23904314

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClFO3/c17-13-7-5-11(6-8-13)15(19)10-21-16(20)9-12-3-1-2-4-14(12)18/h1-8H,9-10H2
InChIKeyQLBPWZBRBDAHJL-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.45
Rot. Bonds5

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

[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 23904314) has the molecular formula C16H12ClFO3 and a molecular weight of 306.72 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID23904314
Molecular FormulaC16H12ClFO3
Molecular Weight306.72 g/mol
Exact Mass306.05
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClFO3/c17-13-7-5-11(6-8-13)15(19)10-21-16(20)9-12-3-1-2-4-14(12)18/h1-8H,9-10H2
InChIKeyQLBPWZBRBDAHJL-UHFFFAOYSA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 9485168
bis[2-(4-chlorophenyl)-2-oxoethyl] dodecanedioate
CID 3270757
[2-(4-chlorophenyl)-2-oxoethyl] 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 55728475
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-fluorophenyl)acetate
CID 3979894
[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate
CID 23737434
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796348
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
[2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate
CID 21236014
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate
CID 27277776
fluoro 2-(2-fluorophenyl)acetate
CID 143971314

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 23904314) is [2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate is O=C(Cc1ccccc1F)OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is QLBPWZBRBDAHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO3/c17-13-7-5-11(6-8-13)15(19)10-21-16(20)9-12-3-1-2-4-14(12)18/h1-8H,9-10H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 306.72 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 23904314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).