3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane

C17H15F3O2S — CID 138972843

IUPAC3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane
SMILESCOc1ccc(C2(Sc3ccc(C(F)(F)F)cc3)COC2)cc1
InChIInChI=1S/C17H15F3O2S/c1-21-14-6-2-12(3-7-14)16(10-22-11-16)23-15-8-4-13(5-9-15)17(18,19)20/h2-9H,10-11H2,1H3
InChIKeyCDRYHTRKAHSPFO-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.73
Rot. Bonds4

About 3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane

3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane (PubChem CID 138972843) has the molecular formula C17H15F3O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane
PubChem CID138972843
Molecular FormulaC17H15F3O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC Name3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane
SMILESCOc1ccc(C2(Sc3ccc(C(F)(F)F)cc3)COC2)cc1
InChIInChI=1S/C17H15F3O2S/c1-21-14-6-2-12(3-7-14)16(10-22-11-16)23-15-8-4-13(5-9-15)17(18,19)20/h2-9H,10-11H2,1H3
InChIKeyCDRYHTRKAHSPFO-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methoxy-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10131479
1,2-Difluoro-4-(3-fluoro-4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10548520
2-Fluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9902810
1,2-Difluoro-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)benzene
CID 44394200
Rac-1,1,1-trifluoro-2-(4-(4-methoxyphenylsulfonyl)phenyl)propan-2-ol
CID 52946026
2-Fluoro-1-methoxy-4-[2-[4-(methylsulfonyl)phenyl]phenyl]benzene
CID 10546170
Benzene, 1-methoxy-4-(2,2,2-trichloro-1-(4-(methylthio)phenyl)ethyl)-
CID 36714
1-((2-Methyl-2-(4-((trifluoromethyl)thio)phenyl)propoxy)methyl)-3-phenoxybenzene
CID 3027314
3-(Benzenesulfinyl)-1,1,1-trifluoro-5-(4-methoxyphenyl)pentan-2-ol
CID 3000055
1,1,1-Trifluoro-3-[4-(4-phenylphenoxy)butylsulfanyl]propan-2-one
CID 44343095
1-methoxy-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 70695191
1-(Fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene
CID 137364059

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane?
The IUPAC name of 3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane (CID 138972843) is 3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane?
The canonical SMILES for 3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane is COc1ccc(C2(Sc3ccc(C(F)(F)F)cc3)COC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane?
The InChIKey is CDRYHTRKAHSPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2S/c1-21-14-6-2-12(3-7-14)16(10-22-11-16)23-15-8-4-13(5-9-15)17(18,19)20/h2-9H,10-11H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane?
3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane has a molecular weight of 340.37 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]sulfanyloxetane is sourced from PubChem (CID 138972843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).