(3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide

C4ClF7O3S — CID 96565657

IUPAC(3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C4ClF7O3S/c5-3(9,10)1(6,7)2(8)4(11,12)15-16(2,13)14/t2-/m1/s1
InChIKeyBLFUBCBUJHLGGX-UWTATZPHSA-N
MW296.55 g/mol
LogP2.07
Rot. Bonds2

About (3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide

(3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide (PubChem CID 96565657) has the molecular formula C4ClF7O3S and a molecular weight of 296.55 g/mol. Its IUPAC name is (3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide.

Molecular Properties

Compound Name(3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide
PubChem CID96565657
Molecular FormulaC4ClF7O3S
Molecular Weight296.55 g/mol
Exact Mass295.91
IUPAC Name(3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C4ClF7O3S/c5-3(9,10)1(6,7)2(8)4(11,12)15-16(2,13)14/t2-/m1/s1
InChIKeyBLFUBCBUJHLGGX-UWTATZPHSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.55
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide?
The IUPAC name of (3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide (CID 96565657) is (3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide.
What is the SMILES notation for (3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide?
The canonical SMILES for (3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide is O=S1(=O)OC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of (3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide?
The InChIKey is BLFUBCBUJHLGGX-UWTATZPHSA-N. The full InChI is InChI=1S/C4ClF7O3S/c5-3(9,10)1(6,7)2(8)4(11,12)15-16(2,13)14/t2-/m1/s1.
What are the key properties of (3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide?
(3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide has a molecular weight of 296.55 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chloro-1,1,2,2-tetrafluoroethyl)-3,4,4-trifluorooxathietane 2,2-dioxide is sourced from PubChem (CID 96565657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).