2,2-difluoro-N-(1-oxothian-4-yl)acetamide

C7H11F2NO2S — CID 103516053

IUPAC2,2-difluoro-N-(1-oxothian-4-yl)acetamide
SMILESO=C(NC1CCS(=O)CC1)C(F)F
InChIInChI=1S/C7H11F2NO2S/c8-6(9)7(11)10-5-1-3-13(12)4-2-5/h5-6H,1-4H2,(H,10,11)
InChIKeyAWKVPPNZJYSQDU-UHFFFAOYSA-N
MW211.23 g/mol
LogP0.28
Rot. Bonds2

About 2,2-difluoro-N-(1-oxothian-4-yl)acetamide

2,2-difluoro-N-(1-oxothian-4-yl)acetamide (PubChem CID 103516053) has the molecular formula C7H11F2NO2S and a molecular weight of 211.23 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-oxothian-4-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-oxothian-4-yl)acetamide
PubChem CID103516053
Molecular FormulaC7H11F2NO2S
Molecular Weight211.23 g/mol
Exact Mass211.05
IUPAC Name2,2-difluoro-N-(1-oxothian-4-yl)acetamide
SMILESO=C(NC1CCS(=O)CC1)C(F)F
InChIInChI=1S/C7H11F2NO2S/c8-6(9)7(11)10-5-1-3-13(12)4-2-5/h5-6H,1-4H2,(H,10,11)
InChIKeyAWKVPPNZJYSQDU-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-oxothian-4-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1-oxothian-4-yl)acetamide (CID 103516053) is 2,2-difluoro-N-(1-oxothian-4-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1-oxothian-4-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1-oxothian-4-yl)acetamide is O=C(NC1CCS(=O)CC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1-oxothian-4-yl)acetamide?
The InChIKey is AWKVPPNZJYSQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2S/c8-6(9)7(11)10-5-1-3-13(12)4-2-5/h5-6H,1-4H2,(H,10,11).
What are the key properties of 2,2-difluoro-N-(1-oxothian-4-yl)acetamide?
2,2-difluoro-N-(1-oxothian-4-yl)acetamide has a molecular weight of 211.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-oxothian-4-yl)acetamide is sourced from PubChem (CID 103516053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).