2,3-bis(trifluoromethylsulfonyl)propan-1-ol

C5H6F6O5S2 — CID 87353111

IUPAC2,3-bis(trifluoromethylsulfonyl)propan-1-ol
SMILESO=S(=O)(CC(CO)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O5S2/c6-4(7,8)17(13,14)2-3(1-12)18(15,16)5(9,10)11/h3,12H,1-2H2
InChIKeyFXJSTCNZMLKIPM-UHFFFAOYSA-N
MW324.22 g/mol
LogP0.22
Rot. Bonds4

About 2,3-bis(trifluoromethylsulfonyl)propan-1-ol

2,3-bis(trifluoromethylsulfonyl)propan-1-ol (PubChem CID 87353111) has the molecular formula C5H6F6O5S2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 2,3-bis(trifluoromethylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name2,3-bis(trifluoromethylsulfonyl)propan-1-ol
PubChem CID87353111
Molecular FormulaC5H6F6O5S2
Molecular Weight324.22 g/mol
Exact Mass323.96
IUPAC Name2,3-bis(trifluoromethylsulfonyl)propan-1-ol
SMILESO=S(=O)(CC(CO)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O5S2/c6-4(7,8)17(13,14)2-3(1-12)18(15,16)5(9,10)11/h3,12H,1-2H2
InChIKeyFXJSTCNZMLKIPM-UHFFFAOYSA-N
XLogP0.22
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3-bis(trifluoromethylsulfonyl)propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trifluoromethylsulfonyl)propan-1-ol?
The IUPAC name of 2,3-bis(trifluoromethylsulfonyl)propan-1-ol (CID 87353111) is 2,3-bis(trifluoromethylsulfonyl)propan-1-ol.
What is the SMILES notation for 2,3-bis(trifluoromethylsulfonyl)propan-1-ol?
The canonical SMILES for 2,3-bis(trifluoromethylsulfonyl)propan-1-ol is O=S(=O)(CC(CO)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3-bis(trifluoromethylsulfonyl)propan-1-ol?
The InChIKey is FXJSTCNZMLKIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O5S2/c6-4(7,8)17(13,14)2-3(1-12)18(15,16)5(9,10)11/h3,12H,1-2H2.
What are the key properties of 2,3-bis(trifluoromethylsulfonyl)propan-1-ol?
2,3-bis(trifluoromethylsulfonyl)propan-1-ol has a molecular weight of 324.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trifluoromethylsulfonyl)propan-1-ol is sourced from PubChem (CID 87353111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).