2,2-difluoro-N-(thian-2-ylmethyl)acetamide

C8H13F2NOS — CID 103515852

IUPAC2,2-difluoro-N-(thian-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCCS1)C(F)F
InChIInChI=1S/C8H13F2NOS/c9-7(10)8(12)11-5-6-3-1-2-4-13-6/h6-7H,1-5H2,(H,11,12)
InChIKeyXUXPEJQBKPXKKV-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.65
Rot. Bonds3

About 2,2-difluoro-N-(thian-2-ylmethyl)acetamide

2,2-difluoro-N-(thian-2-ylmethyl)acetamide (PubChem CID 103515852) has the molecular formula C8H13F2NOS and a molecular weight of 209.26 g/mol. Its IUPAC name is 2,2-difluoro-N-(thian-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(thian-2-ylmethyl)acetamide
PubChem CID103515852
Molecular FormulaC8H13F2NOS
Molecular Weight209.26 g/mol
Exact Mass209.07
IUPAC Name2,2-difluoro-N-(thian-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCCS1)C(F)F
InChIInChI=1S/C8H13F2NOS/c9-7(10)8(12)11-5-6-3-1-2-4-13-6/h6-7H,1-5H2,(H,11,12)
InChIKeyXUXPEJQBKPXKKV-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.65
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-(thian-2-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(thian-2-ylmethyl)acetamide (CID 103515852) is 2,2-difluoro-N-(thian-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(thian-2-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(thian-2-ylmethyl)acetamide is O=C(NCC1CCCCS1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(thian-2-ylmethyl)acetamide?
The InChIKey is XUXPEJQBKPXKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NOS/c9-7(10)8(12)11-5-6-3-1-2-4-13-6/h6-7H,1-5H2,(H,11,12).
What are the key properties of 2,2-difluoro-N-(thian-2-ylmethyl)acetamide?
2,2-difluoro-N-(thian-2-ylmethyl)acetamide has a molecular weight of 209.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(thian-2-ylmethyl)acetamide is sourced from PubChem (CID 103515852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).