N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide

C5H11F2NO3S — CID 103081885

IUPACN-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C5H11F2NO3S/c1-12(9,10)8-2-3-11-4-5(6)7/h5,8H,2-4H2,1H3
InChIKeyFEIMCGVDCPWIQY-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.18
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide (PubChem CID 103081885) has the molecular formula C5H11F2NO3S and a molecular weight of 203.21 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide
PubChem CID103081885
Molecular FormulaC5H11F2NO3S
Molecular Weight203.21 g/mol
Exact Mass203.04
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C5H11F2NO3S/c1-12(9,10)8-2-3-11-4-5(6)7/h5,8H,2-4H2,1H3
InChIKeyFEIMCGVDCPWIQY-UHFFFAOYSA-N
XLogP-0.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide (CID 103081885) is N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide is CS(=O)(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide?
The InChIKey is FEIMCGVDCPWIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO3S/c1-12(9,10)8-2-3-11-4-5(6)7/h5,8H,2-4H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide has a molecular weight of 203.21 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 103081885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).