N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C6H12F3NO2S — CID 63932447

IUPACN-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCCN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C6H12F3NO2S/c1-3-4-10(13(2,11)12)5-6(7,8)9/h3-5H2,1-2H3
InChIKeyBXAAQMXHOZQWQL-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.22
Rot. Bonds4

About N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 63932447) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID63932447
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCCN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C6H12F3NO2S/c1-3-4-10(13(2,11)12)5-6(7,8)9/h3-5H2,1-2H3
InChIKeyBXAAQMXHOZQWQL-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 63932447) is N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is CCCN(CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is BXAAQMXHOZQWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-3-4-10(13(2,11)12)5-6(7,8)9/h3-5H2,1-2H3.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 219.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 63932447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).