1,11-difluorobenzo[a]xanthen-12-one

C17H8F2O2 — CID 135193836

IUPAC1,11-difluorobenzo[a]xanthen-12-one
SMILESO=c1c2c(F)cccc2oc2ccc3cccc(F)c3c12
InChIInChI=1S/C17H8F2O2/c18-10-4-1-3-9-7-8-13-16(14(9)10)17(20)15-11(19)5-2-6-12(15)21-13/h1-8H
InChIKeyGSYATENZJNPJFH-UHFFFAOYSA-N
MW282.25 g/mol
LogP4.38
Rot. Bonds

About 1,11-difluorobenzo[a]xanthen-12-one

1,11-difluorobenzo[a]xanthen-12-one (PubChem CID 135193836) has the molecular formula C17H8F2O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 1,11-difluorobenzo[a]xanthen-12-one.

Molecular Properties

Compound Name1,11-difluorobenzo[a]xanthen-12-one
PubChem CID135193836
Molecular FormulaC17H8F2O2
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name1,11-difluorobenzo[a]xanthen-12-one
SMILESO=c1c2c(F)cccc2oc2ccc3cccc(F)c3c12
InChIInChI=1S/C17H8F2O2/c18-10-4-1-3-9-7-8-13-16(14(9)10)17(20)15-11(19)5-2-6-12(15)21-13/h1-8H
InChIKeyGSYATENZJNPJFH-UHFFFAOYSA-N
XLogP4.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,11-difluorobenzo[a]xanthen-12-one?
The IUPAC name of 1,11-difluorobenzo[a]xanthen-12-one (CID 135193836) is 1,11-difluorobenzo[a]xanthen-12-one.
What is the SMILES notation for 1,11-difluorobenzo[a]xanthen-12-one?
The canonical SMILES for 1,11-difluorobenzo[a]xanthen-12-one is O=c1c2c(F)cccc2oc2ccc3cccc(F)c3c12.
What is the InChIKey of 1,11-difluorobenzo[a]xanthen-12-one?
The InChIKey is GSYATENZJNPJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F2O2/c18-10-4-1-3-9-7-8-13-16(14(9)10)17(20)15-11(19)5-2-6-12(15)21-13/h1-8H.
What are the key properties of 1,11-difluorobenzo[a]xanthen-12-one?
1,11-difluorobenzo[a]xanthen-12-one has a molecular weight of 282.25 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-difluorobenzo[a]xanthen-12-one is sourced from PubChem (CID 135193836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).