1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide

C5H8F3NO2S — CID 102316640

IUPAC1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide
SMILESC=C(C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-4(2)3-9-12(10,11)5(6,7)8/h9H,1,3H2,2H3
InChIKeyQBXOMUQXANNNRA-UHFFFAOYSA-N
MW203.18 g/mol
LogP1.00
Rot. Bonds3

About 1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide

1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide (PubChem CID 102316640) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide
PubChem CID102316640
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide
SMILESC=C(C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-4(2)3-9-12(10,11)5(6,7)8/h9H,1,3H2,2H3
InChIKeyQBXOMUQXANNNRA-UHFFFAOYSA-N
XLogP1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide (CID 102316640) is 1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide is C=C(C)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide?
The InChIKey is QBXOMUQXANNNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c1-4(2)3-9-12(10,11)5(6,7)8/h9H,1,3H2,2H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide has a molecular weight of 203.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methylprop-2-enyl)methanesulfonamide is sourced from PubChem (CID 102316640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).