4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one

C10H7F3O3S — CID 101175118

IUPAC4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(Sc2ccccc2)C(C(F)(F)F)O1
InChIInChI=1S/C10H7F3O3S/c11-10(12,13)7-8(16-9(14)15-7)17-6-4-2-1-3-5-6/h1-5,7-8H
InChIKeyXBILFYRPPPSCNO-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.20
Rot. Bonds2

About 4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one

4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 101175118) has the molecular formula C10H7F3O3S and a molecular weight of 264.22 g/mol. Its IUPAC name is 4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID101175118
Molecular FormulaC10H7F3O3S
Molecular Weight264.22 g/mol
Exact Mass264.01
IUPAC Name4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(Sc2ccccc2)C(C(F)(F)F)O1
InChIInChI=1S/C10H7F3O3S/c11-10(12,13)7-8(16-9(14)15-7)17-6-4-2-1-3-5-6/h1-5,7-8H
InChIKeyXBILFYRPPPSCNO-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one (CID 101175118) is 4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one is O=C1OC(Sc2ccccc2)C(C(F)(F)F)O1.
What is the InChIKey of 4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is XBILFYRPPPSCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O3S/c11-10(12,13)7-8(16-9(14)15-7)17-6-4-2-1-3-5-6/h1-5,7-8H.
What are the key properties of 4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 264.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-5-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 101175118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).