2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide

C8H10F6N2O2S2 — CID 14377681

IUPAC2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide
SMILESO=C(NCCSSCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2O2S2/c9-7(10,11)5(17)15-1-3-19-20-4-2-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18)
InChIKeyVRQHQRJUBAJSMO-UHFFFAOYSA-N
MW344.30 g/mol
LogP1.72
Rot. Bonds7

About 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide (PubChem CID 14377681) has the molecular formula C8H10F6N2O2S2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide
PubChem CID14377681
Molecular FormulaC8H10F6N2O2S2
Molecular Weight344.30 g/mol
Exact Mass344.01
IUPAC Name2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide
SMILESO=C(NCCSSCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2O2S2/c9-7(10,11)5(17)15-1-3-19-20-4-2-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18)
InChIKeyVRQHQRJUBAJSMO-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide (CID 14377681) is 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide is O=C(NCCSSCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide?
The InChIKey is VRQHQRJUBAJSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O2S2/c9-7(10,11)5(17)15-1-3-19-20-4-2-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide has a molecular weight of 344.30 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyldisulfanyl]ethyl]acetamide is sourced from PubChem (CID 14377681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).