3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane

C12H12F4OS — CID 102132779

IUPAC3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane
SMILESFC(F)(Sc1ccccc1)C(F)(F)C1CCOC1
InChIInChI=1S/C12H12F4OS/c13-11(14,9-6-7-17-8-9)12(15,16)18-10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyHNMKQINXLSCDLA-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.04
Rot. Bonds4

About 3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane

3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane (PubChem CID 102132779) has the molecular formula C12H12F4OS and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane.

Molecular Properties

Compound Name3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane
PubChem CID102132779
Molecular FormulaC12H12F4OS
Molecular Weight280.29 g/mol
Exact Mass280.05
IUPAC Name3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane
SMILESFC(F)(Sc1ccccc1)C(F)(F)C1CCOC1
InChIInChI=1S/C12H12F4OS/c13-11(14,9-6-7-17-8-9)12(15,16)18-10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyHNMKQINXLSCDLA-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(Benzenesulfonyl)-2-fluoroethyl]oxolane
CID 134921093
3-[2-(Benzenesulfonyl)-2,2-difluoroethyl]-4-(iodomethyl)oxolane
CID 135062272
1-Fluoro-4-[3-(2,2,3,3-tetrafluoropropoxy)propylsulfanyl]benzene
CID 162413512
3-(2,2-Difluoro-2-(phenylsulfonyl)ethyl)-4-methyltetrahydrofuran
CID 163297774
4-[(2-Fluorophenyl)sulfanylmethyl]oxolane-3-thiol
CID 22070989
2-(4-Fluorophenyl)sulfanyl-2-methyloxolane
CID 22070997
2-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethylsulfanylbenzene
CID 58224428
(2,4-Difluorophenyl) 2-(oxolan-2-yl)ethanedithioate
CID 88060986
4-[(4-Fluorophenyl)sulfanylmethyl]oxolane-3-thiol
CID 88337320
2-[4-(Trifluoromethyl)phenyl]sulfanyloxolane
CID 121222703
2-(4-Fluorophenyl)sulfanyloxolane
CID 130723325
3-(4-Fluorophenyl)sulfanyloxolane
CID 131174908

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane?
The IUPAC name of 3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane (CID 102132779) is 3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane.
What is the SMILES notation for 3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane?
The canonical SMILES for 3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane is FC(F)(Sc1ccccc1)C(F)(F)C1CCOC1.
What is the InChIKey of 3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane?
The InChIKey is HNMKQINXLSCDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4OS/c13-11(14,9-6-7-17-8-9)12(15,16)18-10-4-2-1-3-5-10/h1-5,9H,6-8H2.
What are the key properties of 3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane?
3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane has a molecular weight of 280.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)oxolane is sourced from PubChem (CID 102132779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).