chromen-4-one;fluorobenzene

C15H11FO2 — CID 174960592

IUPACchromen-4-one;fluorobenzene
SMILESFc1ccccc1.O=c1ccoc2ccccc12
InChIInChI=1S/C9H6O2.C6H5F/c10-8-5-6-11-9-4-2-1-3-7(8)9;7-6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeyCPULKOZQNIULGZ-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.62
Rot. Bonds

About chromen-4-one;fluorobenzene

chromen-4-one;fluorobenzene (PubChem CID 174960592) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is chromen-4-one;fluorobenzene.

Molecular Properties

Compound Namechromen-4-one;fluorobenzene
PubChem CID174960592
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Namechromen-4-one;fluorobenzene
SMILESFc1ccccc1.O=c1ccoc2ccccc12
InChIInChI=1S/C9H6O2.C6H5F/c10-8-5-6-11-9-4-2-1-3-7(8)9;7-6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeyCPULKOZQNIULGZ-UHFFFAOYSA-N
XLogP3.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of chromen-4-one;fluorobenzene?
The IUPAC name of chromen-4-one;fluorobenzene (CID 174960592) is chromen-4-one;fluorobenzene.
What is the SMILES notation for chromen-4-one;fluorobenzene?
The canonical SMILES for chromen-4-one;fluorobenzene is Fc1ccccc1.O=c1ccoc2ccccc12.
What is the InChIKey of chromen-4-one;fluorobenzene?
The InChIKey is CPULKOZQNIULGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C6H5F/c10-8-5-6-11-9-4-2-1-3-7(8)9;7-6-4-2-1-3-5-6/h1-6H;1-5H.
What are the key properties of chromen-4-one;fluorobenzene?
chromen-4-one;fluorobenzene has a molecular weight of 242.25 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-4-one;fluorobenzene is sourced from PubChem (CID 174960592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).