N-methyl-N-(trifluoromethyl)methanesulfonamide

C3H6F3NO2S — CID 172820262

IUPACN-methyl-N-(trifluoromethyl)methanesulfonamide
SMILESCN(C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C3H6F3NO2S/c1-7(3(4,5)6)10(2,8)9/h1-2H3
InChIKeyUDBYEBWZMKVSNC-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.40
Rot. Bonds1

About N-methyl-N-(trifluoromethyl)methanesulfonamide

N-methyl-N-(trifluoromethyl)methanesulfonamide (PubChem CID 172820262) has the molecular formula C3H6F3NO2S and a molecular weight of 177.15 g/mol. Its IUPAC name is N-methyl-N-(trifluoromethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(trifluoromethyl)methanesulfonamide
PubChem CID172820262
Molecular FormulaC3H6F3NO2S
Molecular Weight177.15 g/mol
Exact Mass177.01
IUPAC NameN-methyl-N-(trifluoromethyl)methanesulfonamide
SMILESCN(C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C3H6F3NO2S/c1-7(3(4,5)6)10(2,8)9/h1-2H3
InChIKeyUDBYEBWZMKVSNC-UHFFFAOYSA-N
XLogP0.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(trifluoromethyl)methanesulfonamide?
The IUPAC name of N-methyl-N-(trifluoromethyl)methanesulfonamide (CID 172820262) is N-methyl-N-(trifluoromethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(trifluoromethyl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(trifluoromethyl)methanesulfonamide is CN(C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(trifluoromethyl)methanesulfonamide?
The InChIKey is UDBYEBWZMKVSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO2S/c1-7(3(4,5)6)10(2,8)9/h1-2H3.
What are the key properties of N-methyl-N-(trifluoromethyl)methanesulfonamide?
N-methyl-N-(trifluoromethyl)methanesulfonamide has a molecular weight of 177.15 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trifluoromethyl)methanesulfonamide is sourced from PubChem (CID 172820262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).