2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C7H13F2NO2S — CID 107168057

IUPAC2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)C(F)F
InChIInChI=1S/C7H13F2NO2S/c1-7(12,4-13-2)3-10-6(11)5(8)9/h5,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyYSLYFRFQZSBYKR-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.48
Rot. Bonds5

About 2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 107168057) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID107168057
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)C(F)F
InChIInChI=1S/C7H13F2NO2S/c1-7(12,4-13-2)3-10-6(11)5(8)9/h5,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyYSLYFRFQZSBYKR-UHFFFAOYSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 107168057) is 2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CSCC(C)(O)CNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is YSLYFRFQZSBYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-7(12,4-13-2)3-10-6(11)5(8)9/h5,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 213.25 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 107168057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).