5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan

C18H15F3O3S — CID 175805086

IUPAC5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan
SMILESCC1(c2ccccc2)OCC=C1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3O3S/c1-17(13-5-3-2-4-6-13)16(11-12-24-17)25(22,23)15-9-7-14(8-10-15)18(19,20)21/h2-11H,12H2,1H3
InChIKeyWQFNOJVQLLNEHY-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.31
Rot. Bonds3

About 5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan

5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan (PubChem CID 175805086) has the molecular formula C18H15F3O3S and a molecular weight of 368.38 g/mol. Its IUPAC name is 5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan.

Molecular Properties

Compound Name5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan
PubChem CID175805086
Molecular FormulaC18H15F3O3S
Molecular Weight368.38 g/mol
Exact Mass368.07
IUPAC Name5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan
SMILESCC1(c2ccccc2)OCC=C1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3O3S/c1-17(13-5-3-2-4-6-13)16(11-12-24-17)25(22,23)15-9-7-14(8-10-15)18(19,20)21/h2-11H,12H2,1H3
InChIKeyWQFNOJVQLLNEHY-UHFFFAOYSA-N
XLogP4.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan?
The IUPAC name of 5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan (CID 175805086) is 5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan.
What is the SMILES notation for 5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan?
The canonical SMILES for 5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan is CC1(c2ccccc2)OCC=C1S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan?
The InChIKey is WQFNOJVQLLNEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O3S/c1-17(13-5-3-2-4-6-13)16(11-12-24-17)25(22,23)15-9-7-14(8-10-15)18(19,20)21/h2-11H,12H2,1H3.
What are the key properties of 5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan?
5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan has a molecular weight of 368.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-2H-furan is sourced from PubChem (CID 175805086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).