2-[2-(trifluoromethyl)phenyl]sulfanylacetamide

C9H8F3NOS — CID 173425657

IUPAC2-[2-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)6-3-1-2-4-7(6)15-5-8(13)14/h1-4H,5H2,(H2,13,14)
InChIKeyUVIWQPYPMAYNTC-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.28
Rot. Bonds3

About 2-[2-(trifluoromethyl)phenyl]sulfanylacetamide

2-[2-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 173425657) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID173425657
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC Name2-[2-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)6-3-1-2-4-7(6)15-5-8(13)14/h1-4H,5H2,(H2,13,14)
InChIKeyUVIWQPYPMAYNTC-UHFFFAOYSA-N
XLogP2.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfanylacetamide (CID 173425657) is 2-[2-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is UVIWQPYPMAYNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c10-9(11,12)6-3-1-2-4-7(6)15-5-8(13)14/h1-4H,5H2,(H2,13,14).
What are the key properties of 2-[2-(trifluoromethyl)phenyl]sulfanylacetamide?
2-[2-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 235.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 173425657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).