2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane

C16H12F4O4S — CID 168870167

IUPAC2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)c1cccc(F)c1C1OCCO1
InChIInChI=1S/C16H12F4O4S/c17-12-2-1-3-13(14(12)15-23-8-9-24-15)25(21,22)11-6-4-10(5-7-11)16(18,19)20/h1-7,15H,8-9H2
InChIKeyGMWUSUAJOFGXGW-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.72
Rot. Bonds3

About 2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane

2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane (PubChem CID 168870167) has the molecular formula C16H12F4O4S and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane
PubChem CID168870167
Molecular FormulaC16H12F4O4S
Molecular Weight376.33 g/mol
Exact Mass376.04
IUPAC Name2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)c1cccc(F)c1C1OCCO1
InChIInChI=1S/C16H12F4O4S/c17-12-2-1-3-13(14(12)15-23-8-9-24-15)25(21,22)11-6-4-10(5-7-11)16(18,19)20/h1-7,15H,8-9H2
InChIKeyGMWUSUAJOFGXGW-UHFFFAOYSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane (CID 168870167) is 2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane is O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cccc(F)c1C1OCCO1.
What is the InChIKey of 2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane?
The InChIKey is GMWUSUAJOFGXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4O4S/c17-12-2-1-3-13(14(12)15-23-8-9-24-15)25(21,22)11-6-4-10(5-7-11)16(18,19)20/h1-7,15H,8-9H2.
What are the key properties of 2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane?
2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane has a molecular weight of 376.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[4-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3-dioxolane is sourced from PubChem (CID 168870167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).