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

C8H10F6N2O2S — CID 2055987

IUPAC2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide
SMILESO=C(NCCSCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2O2S/c9-7(10,11)5(17)15-1-3-19-4-2-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18)
InChIKeyCRBPHIZHVHWZIP-UHFFFAOYSA-N
MW312.24 g/mol
LogP1.08
Rot. Bonds6

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

2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide (PubChem CID 2055987) has the molecular formula C8H10F6N2O2S and a molecular weight of 312.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide
PubChem CID2055987
Molecular FormulaC8H10F6N2O2S
Molecular Weight312.24 g/mol
Exact Mass312.04
IUPAC Name2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide
SMILESO=C(NCCSCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2O2S/c9-7(10,11)5(17)15-1-3-19-4-2-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18)
InChIKeyCRBPHIZHVHWZIP-UHFFFAOYSA-N
XLogP1.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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]ethylsulfanyl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide (CID 2055987) is 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide is O=C(NCCSCCNC(=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]ethylsulfanyl]ethyl]acetamide?
The InChIKey is CRBPHIZHVHWZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O2S/c9-7(10,11)5(17)15-1-3-19-4-2-16-6(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]ethylsulfanyl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide has a molecular weight of 312.24 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 2055987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).