1,1,2,2,2-pentafluoro-N-propylethanesulfonamide

C5H8F5NO2S — CID 88559709

IUPAC1,1,2,2,2-pentafluoro-N-propylethanesulfonamide
SMILESCCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO2S/c1-2-3-11-14(12,13)5(9,10)4(6,7)8/h11H,2-3H2,1H3
InChIKeyGINBRVJPYZXTMN-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.47
Rot. Bonds4

About 1,1,2,2,2-pentafluoro-N-propylethanesulfonamide

1,1,2,2,2-pentafluoro-N-propylethanesulfonamide (PubChem CID 88559709) has the molecular formula C5H8F5NO2S and a molecular weight of 241.18 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-propylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-propylethanesulfonamide
PubChem CID88559709
Molecular FormulaC5H8F5NO2S
Molecular Weight241.18 g/mol
Exact Mass241.02
IUPAC Name1,1,2,2,2-pentafluoro-N-propylethanesulfonamide
SMILESCCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO2S/c1-2-3-11-14(12,13)5(9,10)4(6,7)8/h11H,2-3H2,1H3
InChIKeyGINBRVJPYZXTMN-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

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 109968
1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
CID 111914
N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluorohexylsulfonamide
CID 14661393
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Propyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 14512906
N-Butylperfluorooctane-1-sulfonamide
CID 22149415
N-Hexylperfluorobutanesulfonamide
CID 85868528
N-Butyl-perfluorobutanesulfonamide
CID 86068657
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
Propyl perfluorohexane sulfonamide
CID 19931112

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-propylethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-propylethanesulfonamide (CID 88559709) is 1,1,2,2,2-pentafluoro-N-propylethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-propylethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-propylethanesulfonamide is CCCNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-propylethanesulfonamide?
The InChIKey is GINBRVJPYZXTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5NO2S/c1-2-3-11-14(12,13)5(9,10)4(6,7)8/h11H,2-3H2,1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-propylethanesulfonamide?
1,1,2,2,2-pentafluoro-N-propylethanesulfonamide 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 1,1,2,2,2-pentafluoro-N-propylethanesulfonamide is sourced from PubChem (CID 88559709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).