1-fluoro-N-(fluoromethyl)methanesulfonamide

C2H5F2NO2S — CID 138675111

IUPAC1-fluoro-N-(fluoromethyl)methanesulfonamide
SMILESO=S(=O)(CF)NCF
InChIInChI=1S/C2H5F2NO2S/c3-1-5-8(6,7)2-4/h5H,1-2H2
InChIKeyDRKORCLNYVOGTM-UHFFFAOYSA-N
MW145.13 g/mol
LogP-0.24
Rot. Bonds3

About 1-fluoro-N-(fluoromethyl)methanesulfonamide

1-fluoro-N-(fluoromethyl)methanesulfonamide (PubChem CID 138675111) has the molecular formula C2H5F2NO2S and a molecular weight of 145.13 g/mol. Its IUPAC name is 1-fluoro-N-(fluoromethyl)methanesulfonamide.

Molecular Properties

Compound Name1-fluoro-N-(fluoromethyl)methanesulfonamide
PubChem CID138675111
Molecular FormulaC2H5F2NO2S
Molecular Weight145.13 g/mol
Exact Mass145.00
IUPAC Name1-fluoro-N-(fluoromethyl)methanesulfonamide
SMILESO=S(=O)(CF)NCF
InChIInChI=1S/C2H5F2NO2S/c3-1-5-8(6,7)2-4/h5H,1-2H2
InChIKeyDRKORCLNYVOGTM-UHFFFAOYSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-fluoro-N-(fluoromethyl)methanesulfonamide 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 1-fluoro-N-(fluoromethyl)methanesulfonamide?
The IUPAC name of 1-fluoro-N-(fluoromethyl)methanesulfonamide (CID 138675111) is 1-fluoro-N-(fluoromethyl)methanesulfonamide.
What is the SMILES notation for 1-fluoro-N-(fluoromethyl)methanesulfonamide?
The canonical SMILES for 1-fluoro-N-(fluoromethyl)methanesulfonamide is O=S(=O)(CF)NCF.
What is the InChIKey of 1-fluoro-N-(fluoromethyl)methanesulfonamide?
The InChIKey is DRKORCLNYVOGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2NO2S/c3-1-5-8(6,7)2-4/h5H,1-2H2.
What are the key properties of 1-fluoro-N-(fluoromethyl)methanesulfonamide?
1-fluoro-N-(fluoromethyl)methanesulfonamide has a molecular weight of 145.13 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(fluoromethyl)methanesulfonamide is sourced from PubChem (CID 138675111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).