N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide

C7H13F2NO2S — CID 107483088

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO2S/c1-13-5-7(12)10(2-3-11)4-6(8)9/h6,11H,2-5H2,1H3
InChIKeyVUWHALJQHMESNI-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.44
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide (PubChem CID 107483088) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
PubChem CID107483088
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO2S/c1-13-5-7(12)10(2-3-11)4-6(8)9/h6,11H,2-5H2,1H3
InChIKeyVUWHALJQHMESNI-UHFFFAOYSA-N
XLogP0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetyl-beta-(methyl)thiocholine iodide
CID 129679322
Acetyl-3-methylthiocholine iodide
CID 129690662
N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915338
2-(cyanomethylsulfanyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915405
N-(2-hydroxyethyl)-2-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915449
N-(2-hydroxyethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915469
N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915513
N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 103915542
2-[2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569651
2-[2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 107478980
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfonylacetamide
CID 107482411
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 107482425

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide (CID 107483088) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide is CSCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide?
The InChIKey is VUWHALJQHMESNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-13-5-7(12)10(2-3-11)4-6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide has a molecular weight of 213.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 107483088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).