2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide

C5H5F5O2S — CID 67425968

IUPAC2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)C(F)CC(C(F)(F)F)C1F
InChIInChI=1S/C5H5F5O2S/c6-3-1-2(5(8,9)10)4(7)13(3,11)12/h2-4H,1H2
InChIKeyFAVUQUJQKTULCZ-UHFFFAOYSA-N
MW224.15 g/mol
LogP1.57
Rot. Bonds

About 2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide

2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide (PubChem CID 67425968) has the molecular formula C5H5F5O2S and a molecular weight of 224.15 g/mol. Its IUPAC name is 2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide
PubChem CID67425968
Molecular FormulaC5H5F5O2S
Molecular Weight224.15 g/mol
Exact Mass223.99
IUPAC Name2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)C(F)CC(C(F)(F)F)C1F
InChIInChI=1S/C5H5F5O2S/c6-3-1-2(5(8,9)10)4(7)13(3,11)12/h2-4H,1H2
InChIKeyFAVUQUJQKTULCZ-UHFFFAOYSA-N
XLogP1.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-3-methylthiolane 1,1-dioxide
CID 66730119
trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine
CID 28901541
1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867
4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol
CID 166719534
1-iodo-3-(trifluoromethyl)bicyclo[2.1.1]hexane
CID 174267124
(3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine
CID 170914011
(2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane
CID 143342608
trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane
CID 102484537
2λ6-thiabicyclo[1.1.0]butane 2,2-dioxide
CID 155092335
4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 152883139
2,4-bis(trifluoromethyl)thiolane 1,1-dioxide
CID 87341196
trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide
CID 154876152

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide (CID 67425968) is 2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide is O=S1(=O)C(F)CC(C(F)(F)F)C1F.
What is the InChIKey of 2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide?
The InChIKey is FAVUQUJQKTULCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O2S/c6-3-1-2(5(8,9)10)4(7)13(3,11)12/h2-4H,1H2.
What are the key properties of 2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide?
2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide has a molecular weight of 224.15 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 67425968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).