1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide

C4H6BrF4NO2S — CID 106295324

IUPAC1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide
SMILESO=S(=O)(CBr)NCC(F)(F)C(F)F
InChIInChI=1S/C4H6BrF4NO2S/c5-2-13(11,12)10-1-4(8,9)3(6)7/h3,10H,1-2H2
InChIKeyNBLJDFMPIJSZSE-UHFFFAOYSA-N
MW288.06 g/mol
LogP1.16
Rot. Bonds5

About 1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide

1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide (PubChem CID 106295324) has the molecular formula C4H6BrF4NO2S and a molecular weight of 288.06 g/mol. Its IUPAC name is 1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide
PubChem CID106295324
Molecular FormulaC4H6BrF4NO2S
Molecular Weight288.06 g/mol
Exact Mass286.92
IUPAC Name1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide
SMILESO=S(=O)(CBr)NCC(F)(F)C(F)F
InChIInChI=1S/C4H6BrF4NO2S/c5-2-13(11,12)10-1-4(8,9)3(6)7/h3,10H,1-2H2
InChIKeyNBLJDFMPIJSZSE-UHFFFAOYSA-N
XLogP1.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.06
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide (CID 106295324) is 1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide is O=S(=O)(CBr)NCC(F)(F)C(F)F.
What is the InChIKey of 1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide?
The InChIKey is NBLJDFMPIJSZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrF4NO2S/c5-2-13(11,12)10-1-4(8,9)3(6)7/h3,10H,1-2H2.
What are the key properties of 1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide?
1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide has a molecular weight of 288.06 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2,2,3,3-tetrafluoropropyl)methanesulfonamide is sourced from PubChem (CID 106295324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).