2,4-bis(trifluoromethyl)thiolane 1,1-dioxide

C6H6F6O2S — CID 87341196

IUPAC2,4-bis(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(C(F)(F)F)CC1C(F)(F)F
InChIInChI=1S/C6H6F6O2S/c7-5(8,9)3-1-4(6(10,11)12)15(13,14)2-3/h3-4H,1-2H2
InChIKeyKDSYOQSEPBUOJI-UHFFFAOYSA-N
MW256.17 g/mol
LogP1.91
Rot. Bonds

About 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide

2,4-bis(trifluoromethyl)thiolane 1,1-dioxide (PubChem CID 87341196) has the molecular formula C6H6F6O2S and a molecular weight of 256.17 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)thiolane 1,1-dioxide
PubChem CID87341196
Molecular FormulaC6H6F6O2S
Molecular Weight256.17 g/mol
Exact Mass256.00
IUPAC Name2,4-bis(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(C(F)(F)F)CC1C(F)(F)F
InChIInChI=1S/C6H6F6O2S/c7-5(8,9)3-1-4(6(10,11)12)15(13,14)2-3/h3-4H,1-2H2
InChIKeyKDSYOQSEPBUOJI-UHFFFAOYSA-N
XLogP1.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine
CID 170914011
2,5-bis(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 89159384
3-(trifluoromethyl)cyclobutane-1-carbaldehyde
CID 131335536
cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol
CID 99986355
cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine
CID 27808394
2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide
CID 67425968
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923212
(3S,5R)-3-(1,1-difluoroethyl)-1-methyl-5-(trifluoromethyl)piperidine
CID 159797513
4-(trifluoromethyl)pyrazolidine
CID 123549529
trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine
CID 28901541
3-(trifluoromethyl)thietane
CID 89415554
1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide (CID 87341196) is 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide is O=S1(=O)CC(C(F)(F)F)CC1C(F)(F)F.
What is the InChIKey of 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide?
The InChIKey is KDSYOQSEPBUOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O2S/c7-5(8,9)3-1-4(6(10,11)12)15(13,14)2-3/h3-4H,1-2H2.
What are the key properties of 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide?
2,4-bis(trifluoromethyl)thiolane 1,1-dioxide has a molecular weight of 256.17 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 87341196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).