4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide

C5H3F7O2S — CID 87128603

IUPAC4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide
SMILESO=S1(=O)C(F)C(F)(C(F)F)C(F)C1(F)F
InChIInChI=1S/C5H3F7O2S/c6-1-4(10,2(7)8)3(9)15(13,14)5(1,11)12/h1-3H
InChIKeyZCMOLNDWPKECJJ-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.61
Rot. Bonds1

About 4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide

4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide (PubChem CID 87128603) has the molecular formula C5H3F7O2S and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide
PubChem CID87128603
Molecular FormulaC5H3F7O2S
Molecular Weight260.13 g/mol
Exact Mass259.97
IUPAC Name4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide
SMILESO=S1(=O)C(F)C(F)(C(F)F)C(F)C1(F)F
InChIInChI=1S/C5H3F7O2S/c6-1-4(10,2(7)8)3(9)15(13,14)5(1,11)12/h1-3H
InChIKeyZCMOLNDWPKECJJ-UHFFFAOYSA-N
XLogP1.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-trifluoro-3-methylthiolane 1,1-dioxide
CID 66729999
3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide
CID 87128837
2,2,3-trifluorothiirane
CID 54324343
(4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide
CID 130351250
2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide
CID 87128380
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
4-(difluoromethyl)-2,2,3,3,4,5-hexafluorooxolane
CID 88849043
4,5,5-trifluoro-1,3-oxathiolan-2-one
CID 59128181
4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide
CID 22095324
3-(difluoromethyl)-3,4-difluoropyrrolidine
CID 84763786
methyl 4,4,5,5-tetrafluoro-1,1,3,3-tetraoxo-1,3-dithiolane-2-sulfinate
CID 59974328
3-(difluoromethyl)-1,1-dioxothiolan-3-ol
CID 80605805

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide?
The IUPAC name of 4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide (CID 87128603) is 4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide.
What is the SMILES notation for 4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide?
The canonical SMILES for 4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide is O=S1(=O)C(F)C(F)(C(F)F)C(F)C1(F)F.
What is the InChIKey of 4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide?
The InChIKey is ZCMOLNDWPKECJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O2S/c6-1-4(10,2(7)8)3(9)15(13,14)5(1,11)12/h1-3H.
What are the key properties of 4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide?
4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide has a molecular weight of 260.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide is sourced from PubChem (CID 87128603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).