1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane

C6H2F12O2S — CID 87154616

IUPAC1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane
SMILESO=S(=O)(CC(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O2S/c7-2(8,9)1-21(19,20)3(4(10,11)12,5(13,14)15)6(16,17)18/h1H2
InChIKeyQJWTUWRBTXHXAJ-UHFFFAOYSA-N
MW366.12 g/mol
LogP3.39
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane

1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane (PubChem CID 87154616) has the molecular formula C6H2F12O2S and a molecular weight of 366.12 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane
PubChem CID87154616
Molecular FormulaC6H2F12O2S
Molecular Weight366.12 g/mol
Exact Mass365.96
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane
SMILESO=S(=O)(CC(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O2S/c7-2(8,9)1-21(19,20)3(4(10,11)12,5(13,14)15)6(16,17)18/h1H2
InChIKeyQJWTUWRBTXHXAJ-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.12
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoroethanesulfonyl fluoride
CID 12929868
2,2,2-trifluoro-N-hydroxy-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 162606518
2,2,2-trifluoroethanesulfonyl iodide
CID 147408811
2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
CID 158437454
2,2,2-trifluoroethanesulfonic acid;hydrochloride
CID 88652100
sodium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane-2-sulfonate
CID 175688576
silyl 2,2,2-trifluoroethanesulfonate
CID 150644822
methanidyl(2,2,2-trifluoroethylsulfonyl)azanium
CID 59280662
ethane-1,2-diol;bis(2,2,2-trifluoroethanesulfonic acid)
CID 87292403
methyl(2,2,2-trifluoroethylsulfonyl)azanide
CID 59280663
1,1,1,2,2,3,3-heptafluoro-4-(trifluoromethylsulfonyl)butane
CID 166085431
2-(2,2,2-trifluoroethylsulfonyl)ethanamine
CID 58685127

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane (CID 87154616) is 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane is O=S(=O)(CC(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane?
The InChIKey is QJWTUWRBTXHXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O2S/c7-2(8,9)1-21(19,20)3(4(10,11)12,5(13,14)15)6(16,17)18/h1H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane?
1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane has a molecular weight of 366.12 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane is sourced from PubChem (CID 87154616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).