3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane

C3H3BrF4O3S — CID 151869532

IUPAC3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane
SMILESO=S(=O)(Br)OCC(F)(F)C(F)F
InChIInChI=1S/C3H3BrF4O3S/c4-12(9,10)11-1-3(7,8)2(5)6/h2H,1H2
InChIKeySMJUWDLJUUDBFA-UHFFFAOYSA-N
MW275.02 g/mol
LogP1.54
Rot. Bonds4

About 3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane

3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane (PubChem CID 151869532) has the molecular formula C3H3BrF4O3S and a molecular weight of 275.02 g/mol. Its IUPAC name is 3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane
PubChem CID151869532
Molecular FormulaC3H3BrF4O3S
Molecular Weight275.02 g/mol
Exact Mass273.89
IUPAC Name3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane
SMILESO=S(=O)(Br)OCC(F)(F)C(F)F
InChIInChI=1S/C3H3BrF4O3S/c4-12(9,10)11-1-3(7,8)2(5)6/h2H,1H2
InChIKeySMJUWDLJUUDBFA-UHFFFAOYSA-N
XLogP1.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.02
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane?
The IUPAC name of 3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane (CID 151869532) is 3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane is O=S(=O)(Br)OCC(F)(F)C(F)F.
What is the InChIKey of 3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane?
The InChIKey is SMJUWDLJUUDBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrF4O3S/c4-12(9,10)11-1-3(7,8)2(5)6/h2H,1H2.
What are the key properties of 3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane?
3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane has a molecular weight of 275.02 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 151869532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).