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

C11H16F6N2O2S2 — CID 155764839

IUPAC2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide
SMILESCC(C)(SCCNC(=O)C(F)(F)F)SCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H16F6N2O2S2/c1-9(2,22-5-3-18-7(20)10(12,13)14)23-6-4-19-8(21)11(15,16)17/h3-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFJFHUUMBKAUSTP-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.55
Rot. Bonds8

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

2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide (PubChem CID 155764839) has the molecular formula C11H16F6N2O2S2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide
PubChem CID155764839
Molecular FormulaC11H16F6N2O2S2
Molecular Weight386.38 g/mol
Exact Mass386.06
IUPAC Name2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide
SMILESCC(C)(SCCNC(=O)C(F)(F)F)SCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H16F6N2O2S2/c1-9(2,22-5-3-18-7(20)10(12,13)14)23-6-4-19-8(21)11(15,16)17/h3-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFJFHUUMBKAUSTP-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide (CID 155764839) is 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide is CC(C)(SCCNC(=O)C(F)(F)F)SCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide?
The InChIKey is FJFHUUMBKAUSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O2S2/c1-9(2,22-5-3-18-7(20)10(12,13)14)23-6-4-19-8(21)11(15,16)17/h3-6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide has a molecular weight of 386.38 g/mol, XLogP of 2.55, 8 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-[(2,2,2-trifluoroacetyl)amino]ethylsulfanyl]propan-2-ylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 155764839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).