1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide

C4H3F8NO2S — CID 154642826

IUPAC1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide
SMILESO=S(=O)(NCC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F8NO2S/c5-2(6,3(7,8)9)1-13-16(14,15)4(10,11)12/h13H,1H2
InChIKeyJALGROFGNPUBEG-UHFFFAOYSA-N
MW281.12 g/mol
LogP1.62
Rot. Bonds3

About 1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide

1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide (PubChem CID 154642826) has the molecular formula C4H3F8NO2S and a molecular weight of 281.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide
PubChem CID154642826
Molecular FormulaC4H3F8NO2S
Molecular Weight281.12 g/mol
Exact Mass280.98
IUPAC Name1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide
SMILESO=S(=O)(NCC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F8NO2S/c5-2(6,3(7,8)9)1-13-16(14,15)4(10,11)12/h13H,1H2
InChIKeyJALGROFGNPUBEG-UHFFFAOYSA-N
XLogP1.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide (CID 154642826) is 1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide is O=S(=O)(NCC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide?
The InChIKey is JALGROFGNPUBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F8NO2S/c5-2(6,3(7,8)9)1-13-16(14,15)4(10,11)12/h13H,1H2.
What are the key properties of 1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide?
1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide has a molecular weight of 281.12 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide is sourced from PubChem (CID 154642826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).