2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide

C10H8Cl4FNOS — CID 2830317

IUPAC2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide
SMILESO=C(CF)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H8Cl4FNOS/c11-6-1-3-7(4-2-6)18-9(10(12,13)14)16-8(17)5-15/h1-4,9H,5H2,(H,16,17)
InChIKeySYWVRLBVOMVIEU-UHFFFAOYSA-N
MW351.06 g/mol
LogP4.21
Rot. Bonds4

About 2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide

2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide (PubChem CID 2830317) has the molecular formula C10H8Cl4FNOS and a molecular weight of 351.06 g/mol. Its IUPAC name is 2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide
PubChem CID2830317
Molecular FormulaC10H8Cl4FNOS
Molecular Weight351.06 g/mol
Exact Mass348.91
IUPAC Name2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide
SMILESO=C(CF)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H8Cl4FNOS/c11-6-1-3-7(4-2-6)18-9(10(12,13)14)16-8(17)5-15/h1-4,9H,5H2,(H,16,17)
InChIKeySYWVRLBVOMVIEU-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.06
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide (CID 2830317) is 2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide is O=C(CF)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide?
The InChIKey is SYWVRLBVOMVIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl4FNOS/c11-6-1-3-7(4-2-6)18-9(10(12,13)14)16-8(17)5-15/h1-4,9H,5H2,(H,16,17).
What are the key properties of 2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide?
2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide has a molecular weight of 351.06 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 2830317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).