2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide

C7H11F2NOS — CID 103515279

IUPAC2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide
SMILESCN(C(=O)C(F)F)C1CCSC1
InChIInChI=1S/C7H11F2NOS/c1-10(7(11)6(8)9)5-2-3-12-4-5/h5-6H,2-4H2,1H3
InChIKeyIAABRVKPEJVOMJ-UHFFFAOYSA-N
MW195.23 g/mol
LogP1.22
Rot. Bonds2

About 2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide

2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide (PubChem CID 103515279) has the molecular formula C7H11F2NOS and a molecular weight of 195.23 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide
PubChem CID103515279
Molecular FormulaC7H11F2NOS
Molecular Weight195.23 g/mol
Exact Mass195.05
IUPAC Name2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide
SMILESCN(C(=O)C(F)F)C1CCSC1
InChIInChI=1S/C7H11F2NOS/c1-10(7(11)6(8)9)5-2-3-12-4-5/h5-6H,2-4H2,1H3
InChIKeyIAABRVKPEJVOMJ-UHFFFAOYSA-N
XLogP1.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide (CID 103515279) is 2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide is CN(C(=O)C(F)F)C1CCSC1.
What is the InChIKey of 2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide?
The InChIKey is IAABRVKPEJVOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NOS/c1-10(7(11)6(8)9)5-2-3-12-4-5/h5-6H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide?
2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide has a molecular weight of 195.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 103515279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).