2,2-difluoro-N-(2-methylsulfinylethyl)acetamide

C5H9F2NO2S — CID 103516052

IUPAC2,2-difluoro-N-(2-methylsulfinylethyl)acetamide
SMILESCS(=O)CCNC(=O)C(F)F
InChIInChI=1S/C5H9F2NO2S/c1-11(10)3-2-8-5(9)4(6)7/h4H,2-3H2,1H3,(H,8,9)
InChIKeyDCOXVOZHFJHOEU-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.25
Rot. Bonds4

About 2,2-difluoro-N-(2-methylsulfinylethyl)acetamide

2,2-difluoro-N-(2-methylsulfinylethyl)acetamide (PubChem CID 103516052) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methylsulfinylethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methylsulfinylethyl)acetamide
PubChem CID103516052
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC Name2,2-difluoro-N-(2-methylsulfinylethyl)acetamide
SMILESCS(=O)CCNC(=O)C(F)F
InChIInChI=1S/C5H9F2NO2S/c1-11(10)3-2-8-5(9)4(6)7/h4H,2-3H2,1H3,(H,8,9)
InChIKeyDCOXVOZHFJHOEU-UHFFFAOYSA-N
XLogP-0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[2-({2-[(trifluoroacetyl)amino]ethyl}sulfinyl)ethyl]acetamide
CID 3239832
N-[2-(Methylsulfinyl)ethyl]acetamide
CID 784953
2-(2,2,2-Trifluoroacetamido)ethanesulfonyl chloride
CID 14028995
2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
CID 22609710
N-(2-methylthioethyl)trifluoroacetamide
CID 22609837
2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide
CID 23401497
1-[(2,2,2-Trifluoroacetyl)amino]ethanesulfonyl chloride
CID 54279307
N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide
CID 88871209
S-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ethanethioate
CID 89216804
N-(2-fluoroethyl)-2-methylsulfanylacetamide
CID 126993510
2,2,2-trifluoro-N-(4-methylsulfonylbutyl)acetamide
CID 129217708
N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide
CID 138560238

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methylsulfinylethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-methylsulfinylethyl)acetamide (CID 103516052) is 2,2-difluoro-N-(2-methylsulfinylethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methylsulfinylethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-methylsulfinylethyl)acetamide is CS(=O)CCNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methylsulfinylethyl)acetamide?
The InChIKey is DCOXVOZHFJHOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c1-11(10)3-2-8-5(9)4(6)7/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 2,2-difluoro-N-(2-methylsulfinylethyl)acetamide?
2,2-difluoro-N-(2-methylsulfinylethyl)acetamide has a molecular weight of 185.19 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methylsulfinylethyl)acetamide is sourced from PubChem (CID 103516052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).