5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one

C17H14F2O2S — CID 102575341

IUPAC5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one
SMILESO=C1CCC(c2ccccc2)(C(F)(F)Sc2ccccc2)O1
InChIInChI=1S/C17H14F2O2S/c18-17(19,22-14-9-5-2-6-10-14)16(12-11-15(20)21-16)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyFGIUEPIPCBUXFD-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.60
Rot. Bonds4

About 5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one

5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one (PubChem CID 102575341) has the molecular formula C17H14F2O2S and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one.

Molecular Properties

Compound Name5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one
PubChem CID102575341
Molecular FormulaC17H14F2O2S
Molecular Weight320.36 g/mol
Exact Mass320.07
IUPAC Name5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one
SMILESO=C1CCC(c2ccccc2)(C(F)(F)Sc2ccccc2)O1
InChIInChI=1S/C17H14F2O2S/c18-17(19,22-14-9-5-2-6-10-14)16(12-11-15(20)21-16)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyFGIUEPIPCBUXFD-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-3-phenylsulfanyl-2-benzofuran-1-one
CID 231746
4,4-Diphenylbutyrolactone
CID 350039
(4R,5R)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
CID 24740266
(4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
CID 25207990
(4S,5R)-4-Phenyl-5-(thiophen-2-yl)-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581364
(4S,5S)-4,5-Diphenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581391
(4S,5S)-4-(4-Fluorophenyl)-5-phenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581404
(4S,5S)-5-Phenyl-4-(p-tolyl)-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581406
(4S,5S)-4-Phenyl-5-(p-tolyl)-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581411
(4S,5R)-4,5-Diphenyl-5-(trifluoromethyl)tetrahydrofuran-2-one
CID 90431915
3-Methylidene-5-phenyl-5-(thiophen-2-yl)oxolan-2-one
CID 311938
(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one
CID 11748209

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one?
The IUPAC name of 5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one (CID 102575341) is 5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one.
What is the SMILES notation for 5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one?
The canonical SMILES for 5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one is O=C1CCC(c2ccccc2)(C(F)(F)Sc2ccccc2)O1.
What is the InChIKey of 5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one?
The InChIKey is FGIUEPIPCBUXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2S/c18-17(19,22-14-9-5-2-6-10-14)16(12-11-15(20)21-16)13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one?
5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one has a molecular weight of 320.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro(phenylsulfanyl)methyl]-5-phenyloxolan-2-one is sourced from PubChem (CID 102575341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).