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

C6H11F2NO2S — CID 107494882

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
SMILESO=C(CS)N(CCO)CC(F)F
InChIInChI=1S/C6H11F2NO2S/c7-5(8)3-9(1-2-10)6(11)4-12/h5,10,12H,1-4H2
InChIKeyPICFGGKABSXNRM-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.00
Rot. Bonds5

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide (PubChem CID 107494882) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
PubChem CID107494882
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
SMILESO=C(CS)N(CCO)CC(F)F
InChIInChI=1S/C6H11F2NO2S/c7-5(8)3-9(1-2-10)6(11)4-12/h5,10,12H,1-4H2
InChIKeyPICFGGKABSXNRM-UHFFFAOYSA-N
XLogP0.00
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 1925938
2,2-difluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 103513893
N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915338
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
CID 107483088
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107494883
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylpropanamide
CID 107494885
N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 107494897
N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107494898
N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107494900
N-ethyl-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109885990
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 11105687
N,N-Bis(2-hydroxyethyl)-2-mercaptoacetamide
CID 54417538

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide (CID 107494882) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide is O=C(CS)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide?
The InChIKey is PICFGGKABSXNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c7-5(8)3-9(1-2-10)6(11)4-12/h5,10,12H,1-4H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide has a molecular weight of 199.22 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 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-sulfanylacetamide is sourced from PubChem (CID 107494882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).