N-ethyl-N-fluoromethanesulfonamide

C3H8FNO2S — CID 118574474

IUPACN-ethyl-N-fluoromethanesulfonamide
SMILESCCN(F)S(C)(=O)=O
InChIInChI=1S/C3H8FNO2S/c1-3-5(4)8(2,6)7/h3H2,1-2H3
InChIKeyAKQOGPKMZMJMFS-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.15
Rot. Bonds2

About N-ethyl-N-fluoromethanesulfonamide

N-ethyl-N-fluoromethanesulfonamide (PubChem CID 118574474) has the molecular formula C3H8FNO2S and a molecular weight of 141.17 g/mol. Its IUPAC name is N-ethyl-N-fluoromethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-fluoromethanesulfonamide
PubChem CID118574474
Molecular FormulaC3H8FNO2S
Molecular Weight141.17 g/mol
Exact Mass141.03
IUPAC NameN-ethyl-N-fluoromethanesulfonamide
SMILESCCN(F)S(C)(=O)=O
InChIInChI=1S/C3H8FNO2S/c1-3-5(4)8(2,6)7/h3H2,1-2H3
InChIKeyAKQOGPKMZMJMFS-UHFFFAOYSA-N
XLogP0.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-fluoromethanesulfonamide?
The IUPAC name of N-ethyl-N-fluoromethanesulfonamide (CID 118574474) is N-ethyl-N-fluoromethanesulfonamide.
What is the SMILES notation for N-ethyl-N-fluoromethanesulfonamide?
The canonical SMILES for N-ethyl-N-fluoromethanesulfonamide is CCN(F)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-fluoromethanesulfonamide?
The InChIKey is AKQOGPKMZMJMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO2S/c1-3-5(4)8(2,6)7/h3H2,1-2H3.
What are the key properties of N-ethyl-N-fluoromethanesulfonamide?
N-ethyl-N-fluoromethanesulfonamide has a molecular weight of 141.17 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-fluoromethanesulfonamide is sourced from PubChem (CID 118574474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).