1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide

C5H10F3NO2S — CID 88576214

IUPAC1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide
SMILESCCCN(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-3-4-9(2)12(10,11)5(6,7)8/h3-4H2,1-2H3
InChIKeySFUFXZBXYSTMIY-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.18
Rot. Bonds3

About 1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide

1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide (PubChem CID 88576214) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide
PubChem CID88576214
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide
SMILESCCCN(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-3-4-9(2)12(10,11)5(6,7)8/h3-4H2,1-2H3
InChIKeySFUFXZBXYSTMIY-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide (CID 88576214) is 1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide is CCCN(C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide?
The InChIKey is SFUFXZBXYSTMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-3-4-9(2)12(10,11)5(6,7)8/h3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide?
1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide is sourced from PubChem (CID 88576214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).