10-(trifluoromethyl)-12H-benzo[a]xanthene

C18H11F3O — CID 145218465

IUPAC10-(trifluoromethyl)-12H-benzo[a]xanthene
SMILESFC(F)(F)c1ccc2c(c1)Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C18H11F3O/c19-18(20,21)13-6-8-16-12(9-13)10-15-14-4-2-1-3-11(14)5-7-17(15)22-16/h1-9H,10H2
InChIKeyRSELAIPETSCKRS-UHFFFAOYSA-N
MW300.28 g/mol
LogP5.56
Rot. Bonds

About 10-(trifluoromethyl)-12H-benzo[a]xanthene

10-(trifluoromethyl)-12H-benzo[a]xanthene (PubChem CID 145218465) has the molecular formula C18H11F3O and a molecular weight of 300.28 g/mol. Its IUPAC name is 10-(trifluoromethyl)-12H-benzo[a]xanthene.

Molecular Properties

Compound Name10-(trifluoromethyl)-12H-benzo[a]xanthene
PubChem CID145218465
Molecular FormulaC18H11F3O
Molecular Weight300.28 g/mol
Exact Mass300.08
IUPAC Name10-(trifluoromethyl)-12H-benzo[a]xanthene
SMILESFC(F)(F)c1ccc2c(c1)Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C18H11F3O/c19-18(20,21)13-6-8-16-12(9-13)10-15-14-4-2-1-3-11(14)5-7-17(15)22-16/h1-9H,10H2
InChIKeyRSELAIPETSCKRS-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.28
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-(trifluoromethyl)-12H-benzo[a]xanthene?
The IUPAC name of 10-(trifluoromethyl)-12H-benzo[a]xanthene (CID 145218465) is 10-(trifluoromethyl)-12H-benzo[a]xanthene.
What is the SMILES notation for 10-(trifluoromethyl)-12H-benzo[a]xanthene?
The canonical SMILES for 10-(trifluoromethyl)-12H-benzo[a]xanthene is FC(F)(F)c1ccc2c(c1)Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 10-(trifluoromethyl)-12H-benzo[a]xanthene?
The InChIKey is RSELAIPETSCKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3O/c19-18(20,21)13-6-8-16-12(9-13)10-15-14-4-2-1-3-11(14)5-7-17(15)22-16/h1-9H,10H2.
What are the key properties of 10-(trifluoromethyl)-12H-benzo[a]xanthene?
10-(trifluoromethyl)-12H-benzo[a]xanthene has a molecular weight of 300.28 g/mol, XLogP of 5.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(trifluoromethyl)-12H-benzo[a]xanthene is sourced from PubChem (CID 145218465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).