4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene

C15H10F4S — CID 170023870

IUPAC4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene
SMILESCc1ccc2c(sc3c(C(F)(F)F)c(C)ccc32)c1F
InChIInChI=1S/C15H10F4S/c1-7-3-5-9-10-6-4-8(2)12(16)14(10)20-13(9)11(7)15(17,18)19/h3-6H,1-2H3
InChIKeyQNUYUEPQLMGARU-UHFFFAOYSA-N
MW298.30 g/mol
LogP5.83
Rot. Bonds

About 4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene

4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene (PubChem CID 170023870) has the molecular formula C15H10F4S and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene.

Molecular Properties

Compound Name4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene
PubChem CID170023870
Molecular FormulaC15H10F4S
Molecular Weight298.30 g/mol
Exact Mass298.04
IUPAC Name4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene
SMILESCc1ccc2c(sc3c(C(F)(F)F)c(C)ccc32)c1F
InChIInChI=1S/C15H10F4S/c1-7-3-5-9-10-6-4-8(2)12(16)14(10)20-13(9)11(7)15(17,18)19/h3-6H,1-2H3
InChIKeyQNUYUEPQLMGARU-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.30
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene?
The IUPAC name of 4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene (CID 170023870) is 4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene.
What is the SMILES notation for 4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene?
The canonical SMILES for 4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene is Cc1ccc2c(sc3c(C(F)(F)F)c(C)ccc32)c1F.
What is the InChIKey of 4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene?
The InChIKey is QNUYUEPQLMGARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4S/c1-7-3-5-9-10-6-4-8(2)12(16)14(10)20-13(9)11(7)15(17,18)19/h3-6H,1-2H3.
What are the key properties of 4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene?
4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene has a molecular weight of 298.30 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene is sourced from PubChem (CID 170023870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).