N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide

C5H8F5NO2S — CID 165009900

IUPACN-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(F)(F)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F5NO2S/c1-2-4(6,7)3-11-14(12,13)5(8,9)10/h11H,2-3H2,1H3
InChIKeyBPGOIZPCLRKUDL-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.47
Rot. Bonds4

About N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide

N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 165009900) has the molecular formula C5H8F5NO2S and a molecular weight of 241.18 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID165009900
Molecular FormulaC5H8F5NO2S
Molecular Weight241.18 g/mol
Exact Mass241.02
IUPAC NameN-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(F)(F)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F5NO2S/c1-2-4(6,7)3-11-14(12,13)5(8,9)10/h11H,2-3H2,1H3
InChIKeyBPGOIZPCLRKUDL-UHFFFAOYSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide (CID 165009900) is N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide is CCC(F)(F)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is BPGOIZPCLRKUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5NO2S/c1-2-4(6,7)3-11-14(12,13)5(8,9)10/h11H,2-3H2,1H3.
What are the key properties of N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide?
N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 241.18 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 165009900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).