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

C15H26F4O6S3 — CID 157283597

IUPAC2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CF)C1.O=S1(=O)CCC(CF)C1F.O=S1(=O)CCCC1CF
InChIInChI=1S/C5H8F2O2S.2C5H9FO2S/c6-3-4-1-2-10(8,9)5(4)7;6-3-5-1-2-9(7,8)4-5;6-4-5-2-1-3-9(5,7)8/h4-5H,1-3H2;2*5H,1-4H2
InChIKeyAZYRCWVWYCPOCR-UHFFFAOYSA-N
MW474.56 g/mol
LogP1.61
Rot. Bonds3

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

2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide (PubChem CID 157283597) has the molecular formula C15H26F4O6S3 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide
PubChem CID157283597
Molecular FormulaC15H26F4O6S3
Molecular Weight474.56 g/mol
Exact Mass474.08
IUPAC Name2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CF)C1.O=S1(=O)CCC(CF)C1F.O=S1(=O)CCCC1CF
InChIInChI=1S/C5H8F2O2S.2C5H9FO2S/c6-3-4-1-2-10(8,9)5(4)7;6-3-5-1-2-9(7,8)4-5;6-4-5-2-1-3-9(5,7)8/h4-5H,1-3H2;2*5H,1-4H2
InChIKeyAZYRCWVWYCPOCR-UHFFFAOYSA-N
XLogP1.61
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 51.61
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
2-Fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide
CID 158384352
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
3-(Difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 175415039
3-Fluoro-4-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 157168370
2-Fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide
CID 157288863
2,4-Dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 159098282
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-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide (CID 157283597) is 2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide is O=S1(=O)CCC(CF)C1.O=S1(=O)CCC(CF)C1F.O=S1(=O)CCCC1CF.
What is the InChIKey of 2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide?
The InChIKey is AZYRCWVWYCPOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2S.2C5H9FO2S/c6-3-4-1-2-10(8,9)5(4)7;6-3-5-1-2-9(7,8)4-5;6-4-5-2-1-3-9(5,7)8/h4-5H,1-3H2;2*5H,1-4H2.
What are the key properties of 2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide?
2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide has a molecular weight of 474.56 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 157283597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).