2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide

C11H11ClF3NOS — CID 143750300

IUPAC2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide
SMILESNC(=O)CSC(CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClF3NOS/c12-8-3-1-7(2-4-8)9(5-11(13,14)15)18-6-10(16)17/h1-4,9H,5-6H2,(H2,16,17)
InChIKeyQPQGSYLZVFSZGL-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.55
Rot. Bonds5

About 2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide

2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide (PubChem CID 143750300) has the molecular formula C11H11ClF3NOS and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide
PubChem CID143750300
Molecular FormulaC11H11ClF3NOS
Molecular Weight297.73 g/mol
Exact Mass297.02
IUPAC Name2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide
SMILESNC(=O)CSC(CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClF3NOS/c12-8-3-1-7(2-4-8)9(5-11(13,14)15)18-6-10(16)17/h1-4,9H,5-6H2,(H2,16,17)
InChIKeyQPQGSYLZVFSZGL-UHFFFAOYSA-N
XLogP3.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide (CID 143750300) is 2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide is NC(=O)CSC(CC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide?
The InChIKey is QPQGSYLZVFSZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NOS/c12-8-3-1-7(2-4-8)9(5-11(13,14)15)18-6-10(16)17/h1-4,9H,5-6H2,(H2,16,17).
What are the key properties of 2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide?
2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide has a molecular weight of 297.73 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]sulfanylacetamide is sourced from PubChem (CID 143750300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).