N-(difluoromethyl)-1,1-difluoromethanesulfonamide

C2H3F4NO2S — CID 175421919

IUPACN-(difluoromethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC(F)F)C(F)F
InChIInChI=1S/C2H3F4NO2S/c3-1(4)7-10(8,9)2(5)6/h1-2,7H
InChIKeyKAWPXXIOGMADQO-UHFFFAOYSA-N
MW181.11 g/mol
LogP0.35
Rot. Bonds3

About N-(difluoromethyl)-1,1-difluoromethanesulfonamide

N-(difluoromethyl)-1,1-difluoromethanesulfonamide (PubChem CID 175421919) has the molecular formula C2H3F4NO2S and a molecular weight of 181.11 g/mol. Its IUPAC name is N-(difluoromethyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-1,1-difluoromethanesulfonamide
PubChem CID175421919
Molecular FormulaC2H3F4NO2S
Molecular Weight181.11 g/mol
Exact Mass180.98
IUPAC NameN-(difluoromethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC(F)F)C(F)F
InChIInChI=1S/C2H3F4NO2S/c3-1(4)7-10(8,9)2(5)6/h1-2,7H
InChIKeyKAWPXXIOGMADQO-UHFFFAOYSA-N
XLogP0.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 50.35
H-Bond Donors ≤ 51
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-(difluoromethyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(difluoromethyl)-1,1-difluoromethanesulfonamide (CID 175421919) is N-(difluoromethyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(difluoromethyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(difluoromethyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NC(F)F)C(F)F.
What is the InChIKey of N-(difluoromethyl)-1,1-difluoromethanesulfonamide?
The InChIKey is KAWPXXIOGMADQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F4NO2S/c3-1(4)7-10(8,9)2(5)6/h1-2,7H.
What are the key properties of N-(difluoromethyl)-1,1-difluoromethanesulfonamide?
N-(difluoromethyl)-1,1-difluoromethanesulfonamide has a molecular weight of 181.11 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 175421919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).