3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane

C5H5F7O4S2 — CID 139244935

IUPAC3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane
SMILESO=S(=O)(C(CCF)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O4S2/c6-2-1-3(17(13,14)4(7,8)9)18(15,16)5(10,11)12/h3H,1-2H2
InChIKeyUICPJEXVWNYMGQ-UHFFFAOYSA-N
MW326.21 g/mol
LogP1.54
Rot. Bonds4

About 3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane

3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane (PubChem CID 139244935) has the molecular formula C5H5F7O4S2 and a molecular weight of 326.21 g/mol. Its IUPAC name is 3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane.

Molecular Properties

Compound Name3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane
PubChem CID139244935
Molecular FormulaC5H5F7O4S2
Molecular Weight326.21 g/mol
Exact Mass325.95
IUPAC Name3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane
SMILESO=S(=O)(C(CCF)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O4S2/c6-2-1-3(17(13,14)4(7,8)9)18(15,16)5(10,11)12/h3H,1-2H2
InChIKeyUICPJEXVWNYMGQ-UHFFFAOYSA-N
XLogP1.54
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-1,1-bis(trifluoromethylsulfonyl)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

Bis(nonafluorobutylsulfonyl)methane
CID 429731
Tris(perfluorobutanesulfonyl)methane
CID 10920436
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane
CID 132839263
1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane
CID 20471422
1,1-Bis(trifluoromethylsulfonyl)propane
CID 53834884
Tetrafluoro-propyl sulfone
CID 87624456
1,1,1,2-Tetrakis(trifluoromethylsulfonyl)propane
CID 89998777
3-Trifluoromethanesulfonylpropane-1-sulfonyl chloride
CID 132327728
1,1,1-Trifluoro-2-(trifluoromethyl)-4,4-bis(trifluoromethylsulfonyl)butane
CID 139244923
1,1-Difluoro-3,3-bis(trifluoromethylsulfonyl)propane
CID 139244924
1,1,3-Tris(trifluoromethylsulfonyl)propane
CID 139244926
1,1,1-Trifluoro-4,4-bis(trifluoromethylsulfonyl)butane
CID 139244934

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane?
The IUPAC name of 3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane (CID 139244935) is 3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane.
What is the SMILES notation for 3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane?
The canonical SMILES for 3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane is O=S(=O)(C(CCF)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane?
The InChIKey is UICPJEXVWNYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O4S2/c6-2-1-3(17(13,14)4(7,8)9)18(15,16)5(10,11)12/h3H,1-2H2.
What are the key properties of 3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane?
3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane has a molecular weight of 326.21 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane is sourced from PubChem (CID 139244935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).