2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide

C15H20F10O6S3 — CID 158384352

IUPAC2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(C(F)(F)F)C1.O=S1(=O)CCC(C(F)(F)F)C1F.O=S1(=O)CCCC1C(F)(F)F
InChIInChI=1S/C5H6F4O2S.2C5H7F3O2S/c6-4-3(5(7,8)9)1-2-12(4,10)11;6-5(7,8)4-1-2-11(9,10)3-4;6-5(7,8)4-2-1-3-11(4,9)10/h3-4H,1-2H2;2*4H,1-3H2
InChIKeyGWENZQFYWONBDK-UHFFFAOYSA-N
MW582.50 g/mol
LogP3.39
Rot. Bonds

About 2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide

2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide (PubChem CID 158384352) has the molecular formula C15H20F10O6S3 and a molecular weight of 582.50 g/mol. Its IUPAC name is 2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide
PubChem CID158384352
Molecular FormulaC15H20F10O6S3
Molecular Weight582.50 g/mol
Exact Mass582.03
IUPAC Name2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(C(F)(F)F)C1.O=S1(=O)CCC(C(F)(F)F)C1F.O=S1(=O)CCCC1C(F)(F)F
InChIInChI=1S/C5H6F4O2S.2C5H7F3O2S/c6-4-3(5(7,8)9)1-2-12(4,10)11;6-5(7,8)4-1-2-11(9,10)3-4;6-5(7,8)4-2-1-3-11(4,9)10/h3-4H,1-2H2;2*4H,1-3H2
InChIKeyGWENZQFYWONBDK-UHFFFAOYSA-N
XLogP3.39
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
CID 158001040
3-(Difluoromethyl)-2-fluorothiolane 1,1-dioxide;2-(difluoromethyl)thiolane 1,1-dioxide;3-(difluoromethyl)thiolane 1,1-dioxide
CID 160140073
2,2,3,4,4-Pentafluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane 1,1-dioxide
CID 161529243
4-(Difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide
CID 174784857
2,2,4,5-Tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
CID 174784959
3-(Difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 175415039
2,2,4,5-Tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide
CID 175415040
2-Fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide
CID 157283597
2-Fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide
CID 157288863
2,5-Difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide
CID 159520555

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide (CID 158384352) is 2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide is O=S1(=O)CCC(C(F)(F)F)C1.O=S1(=O)CCC(C(F)(F)F)C1F.O=S1(=O)CCCC1C(F)(F)F.
What is the InChIKey of 2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide?
The InChIKey is GWENZQFYWONBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O2S.2C5H7F3O2S/c6-4-3(5(7,8)9)1-2-12(4,10)11;6-5(7,8)4-1-2-11(9,10)3-4;6-5(7,8)4-2-1-3-11(4,9)10/h3-4H,1-2H2;2*4H,1-3H2.
What are the key properties of 2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide?
2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide has a molecular weight of 582.50 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 158384352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).