2-(difluoromethylsulfanyl)acetamide

C3H5F2NOS — CID 54095532

IUPAC2-(difluoromethylsulfanyl)acetamide
SMILESNC(=O)CSC(F)F
InChIInChI=1S/C3H5F2NOS/c4-3(5)8-1-2(6)7/h3H,1H2,(H2,6,7)
InChIKeyMWVKRAJXWJOUHE-UHFFFAOYSA-N
MW141.14 g/mol
LogP0.43
Rot. Bonds3

About 2-(difluoromethylsulfanyl)acetamide

2-(difluoromethylsulfanyl)acetamide (PubChem CID 54095532) has the molecular formula C3H5F2NOS and a molecular weight of 141.14 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)acetamide
PubChem CID54095532
Molecular FormulaC3H5F2NOS
Molecular Weight141.14 g/mol
Exact Mass141.01
IUPAC Name2-(difluoromethylsulfanyl)acetamide
SMILESNC(=O)CSC(F)F
InChIInChI=1S/C3H5F2NOS/c4-3(5)8-1-2(6)7/h3H,1H2,(H2,6,7)
InChIKeyMWVKRAJXWJOUHE-UHFFFAOYSA-N
XLogP0.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)acetamide?
The IUPAC name of 2-(difluoromethylsulfanyl)acetamide (CID 54095532) is 2-(difluoromethylsulfanyl)acetamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)acetamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)acetamide is NC(=O)CSC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)acetamide?
The InChIKey is MWVKRAJXWJOUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2NOS/c4-3(5)8-1-2(6)7/h3H,1H2,(H2,6,7).
What are the key properties of 2-(difluoromethylsulfanyl)acetamide?
2-(difluoromethylsulfanyl)acetamide has a molecular weight of 141.14 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)acetamide is sourced from PubChem (CID 54095532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).