2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide

C8H9F2NOS — CID 103515839

IUPAC2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide
SMILESCc1cscc1CNC(=O)C(F)F
InChIInChI=1S/C8H9F2NOS/c1-5-3-13-4-6(5)2-11-8(12)7(9)10/h3-4,7H,2H2,1H3,(H,11,12)
InChIKeyBPBYQFKJQAXRAP-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.94
Rot. Bonds3

About 2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide

2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide (PubChem CID 103515839) has the molecular formula C8H9F2NOS and a molecular weight of 205.23 g/mol. Its IUPAC name is 2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide
PubChem CID103515839
Molecular FormulaC8H9F2NOS
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide
SMILESCc1cscc1CNC(=O)C(F)F
InChIInChI=1S/C8H9F2NOS/c1-5-3-13-4-6(5)2-11-8(12)7(9)10/h3-4,7H,2H2,1H3,(H,11,12)
InChIKeyBPBYQFKJQAXRAP-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.94
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-[(4-methylthiophen-3-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide (CID 103515839) is 2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide is Cc1cscc1CNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide?
The InChIKey is BPBYQFKJQAXRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS/c1-5-3-13-4-6(5)2-11-8(12)7(9)10/h3-4,7H,2H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide?
2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide has a molecular weight of 205.23 g/mol, XLogP of 1.94, 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-[(4-methylthiophen-3-yl)methyl]acetamide is sourced from PubChem (CID 103515839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).