2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide

C7H13F2NO2S — CID 103516066

IUPAC2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide
SMILESCC(CCNC(=O)C(F)F)S(C)=O
InChIInChI=1S/C7H13F2NO2S/c1-5(13(2)12)3-4-10-7(11)6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyRIOAXQYTAZAZQV-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.52
Rot. Bonds5

About 2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide

2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide (PubChem CID 103516066) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide
PubChem CID103516066
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide
SMILESCC(CCNC(=O)C(F)F)S(C)=O
InChIInChI=1S/C7H13F2NO2S/c1-5(13(2)12)3-4-10-7(11)6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyRIOAXQYTAZAZQV-UHFFFAOYSA-N
XLogP0.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.52
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-(3-methylsulfinylbutyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide (CID 103516066) is 2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide is CC(CCNC(=O)C(F)F)S(C)=O.
What is the InChIKey of 2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide?
The InChIKey is RIOAXQYTAZAZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-5(13(2)12)3-4-10-7(11)6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide?
2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide has a molecular weight of 213.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide is sourced from PubChem (CID 103516066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).