3-(2,2-difluoroacetyl)benzo[c]chromen-6-one

C15H8F2O3 — CID 122224266

IUPAC3-(2,2-difluoroacetyl)benzo[c]chromen-6-one
SMILESO=C(c1ccc2c(c1)oc(=O)c1ccccc12)C(F)F
InChIInChI=1S/C15H8F2O3/c16-14(17)13(18)8-5-6-10-9-3-1-2-4-11(9)15(19)20-12(10)7-8/h1-7,14H
InChIKeyOAUABLMCAPBPHT-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.39
Rot. Bonds2

About 3-(2,2-difluoroacetyl)benzo[c]chromen-6-one

3-(2,2-difluoroacetyl)benzo[c]chromen-6-one (PubChem CID 122224266) has the molecular formula C15H8F2O3 and a molecular weight of 274.22 g/mol. Its IUPAC name is 3-(2,2-difluoroacetyl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-(2,2-difluoroacetyl)benzo[c]chromen-6-one
PubChem CID122224266
Molecular FormulaC15H8F2O3
Molecular Weight274.22 g/mol
Exact Mass274.04
IUPAC Name3-(2,2-difluoroacetyl)benzo[c]chromen-6-one
SMILESO=C(c1ccc2c(c1)oc(=O)c1ccccc12)C(F)F
InChIInChI=1S/C15H8F2O3/c16-14(17)13(18)8-5-6-10-9-3-1-2-4-11(9)15(19)20-12(10)7-8/h1-7,14H
InChIKeyOAUABLMCAPBPHT-UHFFFAOYSA-N
XLogP3.39
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-oxobenzo[c]chromene-3-carboxylic acid
CID 20530939
8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid
CID 151070737
3-[(2S)-3-oxobutan-2-yl]oxybenzo[c]chromen-6-one
CID 914972
N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide
CID 164598411
dibenzofuran-3-carboxylate
CID 51860493
naphtho[2,3-c]isochromen-5-one
CID 11379597
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
methyl (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxybutanoate
CID 7085258
propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 701972
methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate
CID 7345331
3-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzo[c]chromen-6-one
CID 41068327
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroacetyl)benzo[c]chromen-6-one?
The IUPAC name of 3-(2,2-difluoroacetyl)benzo[c]chromen-6-one (CID 122224266) is 3-(2,2-difluoroacetyl)benzo[c]chromen-6-one.
What is the SMILES notation for 3-(2,2-difluoroacetyl)benzo[c]chromen-6-one?
The canonical SMILES for 3-(2,2-difluoroacetyl)benzo[c]chromen-6-one is O=C(c1ccc2c(c1)oc(=O)c1ccccc12)C(F)F.
What is the InChIKey of 3-(2,2-difluoroacetyl)benzo[c]chromen-6-one?
The InChIKey is OAUABLMCAPBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2O3/c16-14(17)13(18)8-5-6-10-9-3-1-2-4-11(9)15(19)20-12(10)7-8/h1-7,14H.
What are the key properties of 3-(2,2-difluoroacetyl)benzo[c]chromen-6-one?
3-(2,2-difluoroacetyl)benzo[c]chromen-6-one has a molecular weight of 274.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroacetyl)benzo[c]chromen-6-one is sourced from PubChem (CID 122224266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).