10-(trifluoromethyl)benzo[b]xanthen-12-one

C18H9F3O2 — CID 135167546

IUPAC10-(trifluoromethyl)benzo[b]xanthen-12-one
SMILESO=c1c2ccccc2oc2cc3cccc(C(F)(F)F)c3cc12
InChIInChI=1S/C18H9F3O2/c19-18(20,21)14-6-3-4-10-8-16-13(9-12(10)14)17(22)11-5-1-2-7-15(11)23-16/h1-9H
InChIKeyQKOIPIABYJAQTA-UHFFFAOYSA-N
MW314.26 g/mol
LogP5.12
Rot. Bonds

About 10-(trifluoromethyl)benzo[b]xanthen-12-one

10-(trifluoromethyl)benzo[b]xanthen-12-one (PubChem CID 135167546) has the molecular formula C18H9F3O2 and a molecular weight of 314.26 g/mol. Its IUPAC name is 10-(trifluoromethyl)benzo[b]xanthen-12-one.

Molecular Properties

Compound Name10-(trifluoromethyl)benzo[b]xanthen-12-one
PubChem CID135167546
Molecular FormulaC18H9F3O2
Molecular Weight314.26 g/mol
Exact Mass314.06
IUPAC Name10-(trifluoromethyl)benzo[b]xanthen-12-one
SMILESO=c1c2ccccc2oc2cc3cccc(C(F)(F)F)c3cc12
InChIInChI=1S/C18H9F3O2/c19-18(20,21)14-6-3-4-10-8-16-13(9-12(10)14)17(22)11-5-1-2-7-15(11)23-16/h1-9H
InChIKeyQKOIPIABYJAQTA-UHFFFAOYSA-N
XLogP5.12
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.26
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787377
8,9-difluorobenzo[b]xanthen-12-one
CID 135167539
10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135167601
2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one
CID 135167543
16-(trifluoromethyl)-5,7,14-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one;17-(trifluoromethyl)-5,7,14-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one;18-(trifluoromethyl)-5,7,14-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one;19-(trifluoromethyl)-5,7,14-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),2,4(8),9,11,15,17,19-octaen-21-one
CID 157153662
trifluoromethanesulfonic acid;xanthen-9-one
CID 161488852
2-(2,2,2-trifluoroethyl)xanthen-9-one
CID 155571799
8-hydroxybenzo[b]xanthen-12-one
CID 135167525
2-fluoro-10-methoxybenzo[b]xanthen-12-one
CID 135167611
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
propane;xanthen-9-one
CID 90876458

Frequently Asked Questions

What is the IUPAC name of 10-(trifluoromethyl)benzo[b]xanthen-12-one?
The IUPAC name of 10-(trifluoromethyl)benzo[b]xanthen-12-one (CID 135167546) is 10-(trifluoromethyl)benzo[b]xanthen-12-one.
What is the SMILES notation for 10-(trifluoromethyl)benzo[b]xanthen-12-one?
The canonical SMILES for 10-(trifluoromethyl)benzo[b]xanthen-12-one is O=c1c2ccccc2oc2cc3cccc(C(F)(F)F)c3cc12.
What is the InChIKey of 10-(trifluoromethyl)benzo[b]xanthen-12-one?
The InChIKey is QKOIPIABYJAQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3O2/c19-18(20,21)14-6-3-4-10-8-16-13(9-12(10)14)17(22)11-5-1-2-7-15(11)23-16/h1-9H.
What are the key properties of 10-(trifluoromethyl)benzo[b]xanthen-12-one?
10-(trifluoromethyl)benzo[b]xanthen-12-one has a molecular weight of 314.26 g/mol, XLogP of 5.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(trifluoromethyl)benzo[b]xanthen-12-one is sourced from PubChem (CID 135167546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).