2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide

C6H10F4N2O3S — CID 103732450

IUPAC2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide
SMILESCS(=O)(=O)NCCNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C6H10F4N2O3S/c1-16(14,15)12-3-2-11-5(13)6(9,10)4(7)8/h4,12H,2-3H2,1H3,(H,11,13)
InChIKeyPFJOURRFCFDEOG-UHFFFAOYSA-N
MW266.22 g/mol
LogP-0.45
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide (PubChem CID 103732450) has the molecular formula C6H10F4N2O3S and a molecular weight of 266.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide
PubChem CID103732450
Molecular FormulaC6H10F4N2O3S
Molecular Weight266.22 g/mol
Exact Mass266.03
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide
SMILESCS(=O)(=O)NCCNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C6H10F4N2O3S/c1-16(14,15)12-3-2-11-5(13)6(9,10)4(7)8/h4,12H,2-3H2,1H3,(H,11,13)
InChIKeyPFJOURRFCFDEOG-UHFFFAOYSA-N
XLogP-0.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide (CID 103732450) is 2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide is CS(=O)(=O)NCCNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide?
The InChIKey is PFJOURRFCFDEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4N2O3S/c1-16(14,15)12-3-2-11-5(13)6(9,10)4(7)8/h4,12H,2-3H2,1H3,(H,11,13).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide has a molecular weight of 266.22 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(methanesulfonamido)ethyl]propanamide is sourced from PubChem (CID 103732450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).