2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide

C8H13F2NOS — CID 103515857

IUPAC2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide
SMILESCC1(CNC(=O)C(F)F)CCCS1
InChIInChI=1S/C8H13F2NOS/c1-8(3-2-4-13-8)5-11-7(12)6(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyURVYVZUGWXKLEH-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.65
Rot. Bonds3

About 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide

2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide (PubChem CID 103515857) has the molecular formula C8H13F2NOS and a molecular weight of 209.26 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide
PubChem CID103515857
Molecular FormulaC8H13F2NOS
Molecular Weight209.26 g/mol
Exact Mass209.07
IUPAC Name2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide
SMILESCC1(CNC(=O)C(F)F)CCCS1
InChIInChI=1S/C8H13F2NOS/c1-8(3-2-4-13-8)5-11-7(12)6(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyURVYVZUGWXKLEH-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-[(2-methylthiolan-2-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide (CID 103515857) is 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide is CC1(CNC(=O)C(F)F)CCCS1.
What is the InChIKey of 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide?
The InChIKey is URVYVZUGWXKLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NOS/c1-8(3-2-4-13-8)5-11-7(12)6(9)10/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]acetamide?
2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]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-[(2-methylthiolan-2-yl)methyl]acetamide is sourced from PubChem (CID 103515857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).