2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide

C8H13F4NO2S — CID 103733927

IUPAC2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)(O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2S/c1-7(15,4-16-2)3-13-6(14)8(11,12)5(9)10/h5,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyGFBFCFQEBOQREZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.12
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide

2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide (PubChem CID 103733927) has the molecular formula C8H13F4NO2S and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
PubChem CID103733927
Molecular FormulaC8H13F4NO2S
Molecular Weight263.26 g/mol
Exact Mass263.06
IUPAC Name2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)(O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2S/c1-7(15,4-16-2)3-13-6(14)8(11,12)5(9)10/h5,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyGFBFCFQEBOQREZ-UHFFFAOYSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide (CID 103733927) is 2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide is CSCC(C)(O)CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The InChIKey is GFBFCFQEBOQREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO2S/c1-7(15,4-16-2)3-13-6(14)8(11,12)5(9)10/h5,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide has a molecular weight of 263.26 g/mol, XLogP of 1.12, 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-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 103733927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).