4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate

C10H14F8O6S2 — CID 21102801

IUPAC4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)F)OCCCCOS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C10H14F8O6S2/c11-7(12)9(15,16)5-25(19,20)23-3-1-2-4-24-26(21,22)6-10(17,18)8(13)14/h7-8H,1-6H2
InChIKeyMWGWEEUYEASFOC-UHFFFAOYSA-N
MW446.33 g/mol
LogP2.26
Rot. Bonds13

About 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate

4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate (PubChem CID 21102801) has the molecular formula C10H14F8O6S2 and a molecular weight of 446.33 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate
PubChem CID21102801
Molecular FormulaC10H14F8O6S2
Molecular Weight446.33 g/mol
Exact Mass446.01
IUPAC Name4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)F)OCCCCOS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C10H14F8O6S2/c11-7(12)9(15,16)5-25(19,20)23-3-1-2-4-24-26(21,22)6-10(17,18)8(13)14/h7-8H,1-6H2
InChIKeyMWGWEEUYEASFOC-UHFFFAOYSA-N
XLogP2.26
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate 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 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate (CID 21102801) is 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate is O=S(=O)(CC(F)(F)C(F)F)OCCCCOS(=O)(=O)CC(F)(F)C(F)F.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The InChIKey is MWGWEEUYEASFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F8O6S2/c11-7(12)9(15,16)5-25(19,20)23-3-1-2-4-24-26(21,22)6-10(17,18)8(13)14/h7-8H,1-6H2.
What are the key properties of 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate has a molecular weight of 446.33 g/mol, XLogP of 2.26, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropylsulfonyloxy)butyl 2,2,3,3-tetrafluoropropane-1-sulfonate is sourced from PubChem (CID 21102801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).