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

C5H9F2NOS — CID 103515486

IUPAC2,2-difluoro-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCNC(=O)C(F)F
InChIInChI=1S/C5H9F2NOS/c1-10-3-2-8-5(9)4(6)7/h4H,2-3H2,1H3,(H,8,9)
InChIKeyUKNLBMPYQKRKGX-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.73
Rot. Bonds4

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

2,2-difluoro-N-(2-methylsulfanylethyl)acetamide (PubChem CID 103515486) has the molecular formula C5H9F2NOS and a molecular weight of 169.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methylsulfanylethyl)acetamide
PubChem CID103515486
Molecular FormulaC5H9F2NOS
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Name2,2-difluoro-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCNC(=O)C(F)F
InChIInChI=1S/C5H9F2NOS/c1-10-3-2-8-5(9)4(6)7/h4H,2-3H2,1H3,(H,8,9)
InChIKeyUKNLBMPYQKRKGX-UHFFFAOYSA-N
XLogP0.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylethyl)acetamide
CID 2245987
Ethanethioic acid, S-(2-(acetylamino)ethyl) ester
CID 14997
2,2,2-Trifluoro-N-(2-{[2-(2,2,2-trifluoroacetamido)ethyl]sulfanyl}ethyl)acetamide
CID 2055987
N-[1-[Ethoxy(thiocarbonyl)thio]-2,2,2-trifluoroethyl]acetamide
CID 10445367
2,2,2-trifluoro-N-(2-mercaptoethyl)acetamide
CID 15003205
2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide
CID 19079826
2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]acetamide
CID 21026487
2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
CID 22609710
N-(2-methylthioethyl)trifluoroacetamide
CID 22609837
N-[2-[(2R)-2-aminopropyl]sulfanylethyl]-2,2,2-trifluoroacetamide
CID 54007626
N-[2-(2-aminoethyldisulfanyl)ethyl]-2,2,2-trifluoroacetamide
CID 60018915
2-sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60650073

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methylsulfanylethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-methylsulfanylethyl)acetamide (CID 103515486) is 2,2-difluoro-N-(2-methylsulfanylethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methylsulfanylethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-methylsulfanylethyl)acetamide is CSCCNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methylsulfanylethyl)acetamide?
The InChIKey is UKNLBMPYQKRKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NOS/c1-10-3-2-8-5(9)4(6)7/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 2,2-difluoro-N-(2-methylsulfanylethyl)acetamide?
2,2-difluoro-N-(2-methylsulfanylethyl)acetamide has a molecular weight of 169.20 g/mol, XLogP of 0.73, 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-methylsulfanylethyl)acetamide is sourced from PubChem (CID 103515486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).