N-(2,2-difluoroethyl)-N-methylmethanesulfonamide

C4H9F2NO2S — CID 89145475

IUPACN-(2,2-difluoroethyl)-N-methylmethanesulfonamide
SMILESCN(CC(F)F)S(C)(=O)=O
InChIInChI=1S/C4H9F2NO2S/c1-7(3-4(5)6)10(2,8)9/h4H,3H2,1-2H3
InChIKeyPOEUVAHXDXHUQG-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.14
Rot. Bonds3

About N-(2,2-difluoroethyl)-N-methylmethanesulfonamide

N-(2,2-difluoroethyl)-N-methylmethanesulfonamide (PubChem CID 89145475) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methylmethanesulfonamide
PubChem CID89145475
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC NameN-(2,2-difluoroethyl)-N-methylmethanesulfonamide
SMILESCN(CC(F)F)S(C)(=O)=O
InChIInChI=1S/C4H9F2NO2S/c1-7(3-4(5)6)10(2,8)9/h4H,3H2,1-2H3
InChIKeyPOEUVAHXDXHUQG-UHFFFAOYSA-N
XLogP0.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methylmethanesulfonamide (CID 89145475) is N-(2,2-difluoroethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methylmethanesulfonamide is CN(CC(F)F)S(C)(=O)=O.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methylmethanesulfonamide?
The InChIKey is POEUVAHXDXHUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-7(3-4(5)6)10(2,8)9/h4H,3H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methylmethanesulfonamide?
N-(2,2-difluoroethyl)-N-methylmethanesulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 89145475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).